- InChI
- InChI=1S/C4H5ClO2/c1-3(2)7-4(5)6/h1H2,2H3
- InChI Key
- AMMGCGVWJMRTQI-UHFFFAOYSA-N
- Formula
- C4H5ClO2
- SMILES
- C=C(C)OC(=O)Cl
- Molecular Weight1
- 120.53
- Other Names
-
- Carbonochloridic acid, 1-methylethenyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4192 | Relay (1.0) Calculated Property | |
| ΔfG° | -260.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.895 | Crippen Calculated Property | |
| McVol | 82.600 | ml/mol | McGowan Calculated Property |
| Pc | 3970.51 | kPa | Joback Calculated Property |
| Inp | 694.00 | NIST | |
| Tboil | 363.77 | K | Relay (1.0) Calculated Property |
| Tc | 545.26 | K | Relay (1.0) Calculated Property |
| Tfus | 165.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.308 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [110.42; 213.29] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.48700e+01 | |||
| Coefficient B | 3.15720e-01 | |||
| Coefficient C | -1.44800e-04 | |||
| Coefficient D | 7.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 110.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 128.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 145.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 160.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 173.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 184.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 194.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 202.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 208.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 213.29 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Isopropenyl chloroformate.
Sources
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