- InChI
- InChI=1S/C4H6Cl2O2/c5-2-1-3-8-4(6)7/h1-3H2
- InChI Key
- MTXMEFUEBCFWCY-UHFFFAOYSA-N
- Formula
- C4H6Cl2O2
- SMILES
- O=C(Cl)OCCCCl
- Molecular Weight1
- 157.00
- Other Names
-
- Formic acid, chloro-, 3-chloropropyl ester
- (3-Chloropropoxy)carbonyl chloride
- 3-Chloropropyl chloroformate
- 3-Chloropropyl chloridocarbonate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -471.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.69 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.991 | Crippen Calculated Property | |
| McVol | 99.140 | ml/mol | McGowan Calculated Property |
| Inp | 999.00 | NIST | |
| Tboil | 442.50 | K | Relay (1.0) Calculated Property |
| Tc | 611.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.94; 207.89] | J/mol×K | [442.07; 636.71] | 
|
| Cp,gas | 171.94 | J/mol×K | 442.07 | Joback Calculated Property |
| Cp,gas | 178.56 | J/mol×K | 474.51 | Joback Calculated Property |
| Cp,gas | 184.93 | J/mol×K | 506.95 | Joback Calculated Property |
| Cp,gas | 191.05 | J/mol×K | 539.39 | Joback Calculated Property |
| Cp,gas | 196.92 | J/mol×K | 571.83 | Joback Calculated Property |
| Cp,gas | 202.53 | J/mol×K | 604.27 | Joback Calculated Property |
| Cp,gas | 207.89 | J/mol×K | 636.71 | Joback Calculated Property |
| η | [0.0003546; 0.0028294] | Pa×s | [266.84; 442.07] |
|
| η | 0.0028294 | Pa×s | 266.84 | Joback Calculated Property |
| η | 0.0016875 | Pa×s | 296.05 | Joback Calculated Property |
| η | 0.0011043 | Pa×s | 325.25 | Joback Calculated Property |
| η | 0.0007750 | Pa×s | 354.46 | Joback Calculated Property |
| η | 0.0005740 | Pa×s | 383.66 | Joback Calculated Property |
| η | 0.0004436 | Pa×s | 412.87 | Joback Calculated Property |
| η | 0.0003546 | Pa×s | 442.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonochloridic acid, 3-chloropropyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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