- InChI
- InChI=1S/C9H17ClO2/c1-6(2)8(4)12-9(11)5-7(3)10/h6-8H,5H2,1-4H3
- InChI Key
- VVRYCRWOHNYBFY-UHFFFAOYSA-N
- Formula
- C9H17ClO2
- SMILES
- CC(Cl)CC(=O)OC(C)C(C)C
- Molecular Weight1
- 192.68
- 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° | -228.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.591 | Crippen Calculated Property | |
| McVol | 157.350 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | [1137.00; 1161.00] |
|
|
| Inp | 1141.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1146.00 | NIST | |
| I | [1490.00; 1514.00] |
|
|
| I | 1498.00 | NIST | |
| I | 1514.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1490.00 | NIST | |
| Tboil | 517.72 | K | Joback Calculated Property |
| Tc | 708.11 | K | Joback Calculated Property |
| Tfus | 248.27 | K | Joback Calculated Property |
| Vc | 0.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.90; 426.84] | J/mol×K | [517.72; 708.11] |
|
| Cp,gas | 352.90 | J/mol×K | 517.72 | Joback Calculated Property |
| Cp,gas | 366.71 | J/mol×K | 549.45 | Joback Calculated Property |
| Cp,gas | 379.92 | J/mol×K | 581.18 | Joback Calculated Property |
| Cp,gas | 392.53 | J/mol×K | 612.91 | Joback Calculated Property |
| Cp,gas | 404.54 | J/mol×K | 644.64 | Joback Calculated Property |
| Cp,gas | 415.98 | J/mol×K | 676.38 | Joback Calculated Property |
| Cp,gas | 426.84 | J/mol×K | 708.11 | Joback Calculated Property |
| η | [0.0002020; 0.0089985] | Pa×s | [248.27; 517.72] |
|
| η | 0.0089985 | Pa×s | 248.27 | Joback Calculated Property |
| η | 0.0029439 | Pa×s | 293.18 | Joback Calculated Property |
| η | 0.0012960 | Pa×s | 338.09 | Joback Calculated Property |
| η | 0.0006916 | Pa×s | 383.00 | Joback Calculated Property |
| η | 0.0004210 | Pa×s | 427.90 | Joback Calculated Property |
| η | 0.0002817 | Pa×s | 472.81 | Joback Calculated Property |
| η | 0.0002020 | Pa×s | 517.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, 1,2-dimethylpropyl ester.
Sources
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