- InChI
- InChI=1S/C8H15ClO2/c1-5(2)7(4)11-8(10)6(3)9/h5-7H,1-4H3
- InChI Key
- CERNFPCEYCDJQG-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CC(Cl)C(=O)OC(C)C(C)C
- Molecular Weight1
- 178.66
- 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).
- 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.
- I : 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° | -236.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.17 | Crippen Calculated Property | |
| logPoct/wat | 2.201 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Pc | 2621.78 | kPa | Joback Calculated Property |
| Inp | [1032.00; 1054.00] |
|
|
| Inp | 1037.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1044.00 | NIST | |
| I | [1366.00; 1386.00] |
|
|
| I | 1368.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1369.00 | NIST | |
| I | 1366.00 | NIST | |
| Tboil | 494.84 | K | Joback Calculated Property |
| Tc | 687.55 | K | Joback Calculated Property |
| Tfus | 237.00 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.34; 377.31] | J/mol×K | [494.84; 687.55] |
|
| Cp,gas | 308.34 | J/mol×K | 494.84 | Joback Calculated Property |
| Cp,gas | 321.20 | J/mol×K | 526.96 | Joback Calculated Property |
| Cp,gas | 333.50 | J/mol×K | 559.08 | Joback Calculated Property |
| Cp,gas | 345.26 | J/mol×K | 591.20 | Joback Calculated Property |
| Cp,gas | 356.48 | J/mol×K | 623.32 | Joback Calculated Property |
| Cp,gas | 367.16 | J/mol×K | 655.43 | Joback Calculated Property |
| Cp,gas | 377.31 | J/mol×K | 687.55 | Joback Calculated Property |
| η | [0.0002222; 0.0096797] | Pa×s | [237.00; 494.84] |
|
| η | 0.0096797 | Pa×s | 237.00 | Joback Calculated Property |
| η | 0.0031841 | Pa×s | 279.97 | Joback Calculated Property |
| η | 0.0014081 | Pa×s | 322.95 | Joback Calculated Property |
| η | 0.0007542 | Pa×s | 365.92 | Joback Calculated Property |
| η | 0.0004606 | Pa×s | 408.89 | Joback Calculated Property |
| η | 0.0003090 | Pa×s | 451.87 | Joback Calculated Property |
| η | 0.0002222 | Pa×s | 494.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-chloro, 1,2-dimethylpropyl ester.
Sources
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