- InChI
- InChI=1S/C7H13ClO2/c1-7(2,3)10-6(9)4-5-8/h4-5H2,1-3H3
- InChI Key
- PGULCJLBEJUCRO-UHFFFAOYSA-N
- Formula
- C7H13ClO2
- SMILES
- CC(C)(C)OC(=O)CCCl
- Molecular Weight1
- 164.63
- 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° | -234.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.42 | kJ/mol | Joback Calculated Property |
| log10WS | -1.88 | Crippen Calculated Property | |
| logPoct/wat | 1.957 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Pc | 2884.30 | kPa | Joback Calculated Property |
| Inp | [973.00; 996.00] |
|
|
| Inp | 980.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 980.00 | NIST | |
| I | [1364.00; 1386.00] |
|
|
| I | 1368.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1365.00 | NIST | |
| I | 1364.00 | NIST | |
| Tboil | 470.05 | K | Joback Calculated Property |
| Tc | 664.25 | K | Joback Calculated Property |
| Tfus | 273.15 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.23; 330.63] | J/mol×K | [470.05; 664.25] |
|
| Cp,gas | 268.23 | J/mol×K | 470.05 | Joback Calculated Property |
| Cp,gas | 280.06 | J/mol×K | 502.42 | Joback Calculated Property |
| Cp,gas | 291.30 | J/mol×K | 534.78 | Joback Calculated Property |
| Cp,gas | 301.96 | J/mol×K | 567.15 | Joback Calculated Property |
| Cp,gas | 312.05 | J/mol×K | 599.52 | Joback Calculated Property |
| Cp,gas | 321.60 | J/mol×K | 631.88 | Joback Calculated Property |
| Cp,gas | 330.63 | J/mol×K | 664.25 | Joback Calculated Property |
| η | [0.0002819; 0.0041252] | Pa×s | [273.15; 470.05] |
|
| η | 0.0041252 | Pa×s | 273.15 | Joback Calculated Property |
| η | 0.0020752 | Pa×s | 305.97 | Joback Calculated Property |
| η | 0.0011926 | Pa×s | 338.78 | Joback Calculated Property |
| η | 0.0007558 | Pa×s | 371.60 | Joback Calculated Property |
| η | 0.0005158 | Pa×s | 404.42 | Joback Calculated Property |
| η | 0.0003728 | Pa×s | 437.23 | Joback Calculated Property |
| η | 0.0002819 | Pa×s | 470.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro, 1,1-dimethylethyl ester.
Sources
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