Input interpretation
phosphoryl chloride | 4-chlorobutyric acid
Chemical names and formulas
| phosphoryl chloride | 4-chlorobutyric acid formula | POCl_3 | Cl(CH_2)_3COOH Hill formula | Cl_3OP | C_4H_7ClO_2 name | phosphoryl chloride | 4-chlorobutyric acid IUPAC name | | 4-chlorobutanoic acid alternate names | phosphorus oxychloride | phosphorus oxytrichloride | phosphorus(V) oxide chloride | phosphoryl trichloride | trichlorophosphine oxide | trichlorophosphorus oxide | 4-chlorobutanoic acid | butanoic acid, 4-chloro- | butyric acid, 4-chloro- | gamma-chlorobutyric acid mass fractions | Cl (chlorine) 69.4% | O (oxygen) 10.4% | P (phosphorus) 20.2% | C (carbon) 39.2% | Cl (chlorine) 28.9% | H (hydrogen) 5.76% | O (oxygen) 26.1%
Structure diagrams
| phosphoryl chloride | 4-chlorobutyric acid vertex count | 5 | 7 edge count | 4 | 7 Schultz index | 64 | 190 Wiener index | 16 | 52 Hosoya index | 5 | 18 Balaban index | 3.024 | 2.678
3D structure
3D structure
Basic properties
| phosphoryl chloride | 4-chlorobutyric acid molar mass | 153.3 g/mol | 122.5 g/mol phase | liquid (at STP) | liquid (at STP) melting point | 1.25 °C | 14 °C boiling point | 105.8 °C | 196 °C density | 1.645 g/cm^3 | 1.24 g/cm^3 solubility in water | reacts | very soluble
Units
Liquid properties
| phosphoryl chloride | 4-chlorobutyric acid density | 1.645 g/cm^3 | 1.24 g/cm^3 vapor pressure | 104 mmHg | 1.3×10^-4 mmHg refractive index | | 1.451
Units
Thermodynamic properties
| phosphoryl chloride | 4-chlorobutyric acid molar heat of vaporization | 34.6 kJ/mol (kilojoules per mole) | 60.7 kJ/mol (kilojoules per mole) specific heat of vaporization | 0.226 kJ/g (kilojoules per gram) | 0.495 kJ/g (kilojoules per gram) molar heat of fusion | 13.1 kJ/mol (kilojoules per mole) | critical temperature | 605 K (kelvins) | 691 K (kelvins) critical pressure | | 4.16 MPa (megapascals)
Chemical identifiers
| phosphoryl chloride | 4-chlorobutyric acid CAS number | 10025-87-3 | 627-00-9 Beilstein number | | 1700264 PubChem CID number | 24813 | 12300 PubChem SID number | 24855857 | 24892552 SMILES identifier | O=P(Cl)(Cl)Cl | C(CC(=O)O)CCl InChI identifier | InChI=1/Cl3OP/c1-5(2, 3)4 | InChI=1/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2, (H, 6, 7)/f/h6H RTECS number | TH4897000 | MDL number | MFCD00011443 | MFCD00002818
NFPA label
NFPA label
| phosphoryl chloride NFPA health rating | 4 NFPA fire rating | 0 NFPA reactivity rating | 2 NFPA hazards | water reactive