- InChI
- InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3
- InChI Key
- QQKDTTWZXHEGAQ-UHFFFAOYSA-N
- Formula
- C4H7ClO2
- SMILES
- CCCOC(=O)Cl
- Molecular Weight1
- 122.55
- CAS
- 109-61-5
- Other Names
-
- Carbonochloridic acid, propyl ester
- Formic acid, chloro-, propyl ester
- Propyl chlorocarbonate
- Propyl chloroformate
- chloroformic acid propylester
- UN 2740
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ΔfG° | -263.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.43 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -533.40 ± 0.76 | kJ/mol | NIST |
| ΔfusH° | 13.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.70; 40.70] | kJ/mol |
|
| ΔvapH° | 40.70 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 40.70 ± 0.40 | kJ/mol | NIST |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | 1.772 | Crippen Calculated Property | |
| McVol | 86.900 | ml/mol | McGowan Calculated Property |
| Pc | 3940.66 | kPa | Joback Calculated Property |
| Inp | [724.00; 724.00] |
|
|
| Inp | 724.00 | NIST | |
| Inp | 724.00 | NIST | |
| Tboil | [378.70; 388.40] | K |
|
| Tboil | 378.70 | K | NIST |
| Tboil | 388.40 | K | NIST |
| Tboil | 387.35 ± 0.40 | K | NIST |
| Tc | 592.13 | K | Joback Calculated Property |
| Tfus | 236.92 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.10; 188.84] | J/mol×K | [404.64; 592.13] |
|
| Cp,gas | 151.10 | J/mol×K | 404.64 | Joback Calculated Property |
| Cp,gas | 157.93 | J/mol×K | 435.89 | Joback Calculated Property |
| Cp,gas | 164.55 | J/mol×K | 467.14 | Joback Calculated Property |
| Cp,gas | 170.96 | J/mol×K | 498.39 | Joback Calculated Property |
| Cp,gas | 177.14 | J/mol×K | 529.63 | Joback Calculated Property |
| Cp,gas | 183.10 | J/mol×K | 560.88 | Joback Calculated Property |
| Cp,gas | 188.84 | J/mol×K | 592.13 | Joback Calculated Property |
| η | [0.0003259; 0.0027868] | Pa×s | [236.92; 404.64] |
|
| η | 0.0027868 | Pa×s | 236.92 | Joback Calculated Property |
| η | 0.0016136 | Pa×s | 264.87 | Joback Calculated Property |
| η | 0.0010371 | Pa×s | 292.83 | Joback Calculated Property |
| η | 0.0007199 | Pa×s | 320.78 | Joback Calculated Property |
| η | 0.0005298 | Pa×s | 348.73 | Joback Calculated Property |
| η | 0.0004081 | Pa×s | 376.69 | Joback Calculated Property |
| η | 0.0003259 | Pa×s | 404.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Propyl chloroformate.
Sources
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