Input interpretation
N-propanol | deuterated acetic acid (D4)
Chemical names and formulas
![| N-propanol | deuterated acetic acid (D4) formula | CH_3CH_2CH_2OH | CD_3CO_2D Hill formula | C_3H_8O | C_2D_4O_2 name | N-propanol | deuterated acetic acid (D4) IUPAC name | propan-1-ol | 2, 2, 2-trideuterioacetic acid deuterio ester alternate names | 1-hydroxypropane | 1-propanol | N-propyl alcohol | propan-1-ol | propanol | propyl alcohol | 2, 2, 2-trideuterioacetic acid deuterio ester | [2H3]acetic [2H]acid | acetic acid-d4 | acetic-d3 acid-d | deuterio 2, 2, 2-trideuterioacetate | deuterio 2, 2, 2-trideuterioethanoate | tetradeuteroacetic acid mass fractions | C (carbon) 60% | H (hydrogen) 13.4% | O (oxygen) 26.6% | O (oxygen) 0.499% | C (carbon) 0.375% | H (hydrogen) 0.126%](../image_source/55ef442b2f29ae1c63795262f55417f0.png)
| N-propanol | deuterated acetic acid (D4) formula | CH_3CH_2CH_2OH | CD_3CO_2D Hill formula | C_3H_8O | C_2D_4O_2 name | N-propanol | deuterated acetic acid (D4) IUPAC name | propan-1-ol | 2, 2, 2-trideuterioacetic acid deuterio ester alternate names | 1-hydroxypropane | 1-propanol | N-propyl alcohol | propan-1-ol | propanol | propyl alcohol | 2, 2, 2-trideuterioacetic acid deuterio ester | [2H3]acetic [2H]acid | acetic acid-d4 | acetic-d3 acid-d | deuterio 2, 2, 2-trideuterioacetate | deuterio 2, 2, 2-trideuterioethanoate | tetradeuteroacetic acid mass fractions | C (carbon) 60% | H (hydrogen) 13.4% | O (oxygen) 26.6% | O (oxygen) 0.499% | C (carbon) 0.375% | H (hydrogen) 0.126%
Structure diagrams
| N-propanol | deuterated acetic acid (D4) vertex count | 4 | 4 edge count | 4 | 4 Schultz index | 38 | 36 Wiener index | 10 | 9 Hosoya index | 5 | 4 Balaban index | 1.975 | 2.324
3D structure
3D structure
Basic properties
| N-propanol | deuterated acetic acid (D4) molar mass | 60.1 g/mol | 64.076 g/mol phase | liquid (at STP) | liquid (at STP) melting point | -127 °C | 15.5 °C boiling point | 97 °C | 115.5 °C density | 0.804 g/cm^3 | 1.119 g/cm^3 solubility in water | miscible | soluble
Units
Hydrophobicity and permeability properties
| N-propanol predicted LogP hydrophobicity | 0.21 predicted LogS | 0.81
Liquid properties
| N-propanol | deuterated acetic acid (D4) density | 0.804 g/cm^3 | 1.119 g/cm^3 vapor pressure | 9.998 mmHg | 11.4 mmHg dynamic viscosity | 0.001945 Pa s | surface tension | 0.02375 N/m | sound speed | 4403 km/h | refractive index | 1.384 | 1.368 UV cutoff wavelength | 210 nm |
Units
Thermodynamic properties
| N-propanol molar heat of vaporization | 47.5 kJ/mol (kilojoules per mole) specific heat of vaporization | 0.79 kJ/g (kilojoules per gram) molar heat of combustion | 2021.3 kJ/mol (kilojoules per mole) molar heat of fusion | 5.37 kJ/mol (kilojoules per mole) critical temperature | 536 K (kelvins) critical pressure | 5.2 MPa (megapascals) compressibility factor | 0.2525 (at critical conditions) acentric factor ω | 0.628 Antoine equation constants | 15.2175 | 3008.31 | -86.4909
Non-standard atom properties
| non-standard isotope tally deuterated acetic acid (D4) | H-2 | 4
Chemical identifiers
| N-propanol | deuterated acetic acid (D4) CAS number | 71-23-8 | 1186-52-3 Beilstein number | 1098242 | 1748971 PubChem CID number | 1031 | 2723903 PubChem SID number | 24855524 | 24848852 SMILES identifier | CCCO | CC(=O)O InChI identifier | InChI=1/C3H8O/c1-2-3-4/h4H, 2-3H2, 1H3 | InChI=1/C2H4O2/c1-2(3)4/h1H3, (H, 3, 4)/i1D3/hD/f/h3H/i1D3, 3D InChI key | BDERNNFJNOPAEC-UHFFFAOYAO | RTECS number | UH8225000 | MDL number | MFCD00002941 | MFCD00051051
NFPA label
NFPA label
| N-propanol | deuterated acetic acid (D4) NFPA health rating | 1 | 3 NFPA fire rating | 3 | 2 NFPA reactivity rating | 0 | 0
Safety properties
| N-propanol | deuterated acetic acid (D4) flash point | 15 °C | 40 °C autoignition point | 412 °C | 485 °C lower explosive limit | 2.3% | 4% upper explosive limit | 13.57% | 17%