- InChI
- InChI=1S/C8H13ClO2/c1-4-5-6(2)11-8(10)7(3)9/h4,6-7H,1,5H2,2-3H3
- InChI Key
- QVYJRALGDILKPA-UHFFFAOYSA-N
- Formula
- C8H13ClO2
- SMILES
- C=CCC(C)OC(=O)C(C)Cl
- Molecular Weight1
- 176.64
- 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° | -146.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.26 | Crippen Calculated Property | |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Inp | [1032.00; 1062.00] |
|
|
| Inp | 1040.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1057.00 | NIST | |
| I | [1434.00; 1438.00] |
|
|
| I | 1436.00 | NIST | |
| I | 1434.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1436.00 | NIST | |
| Tboil | 491.96 | K | Joback Calculated Property |
| Tc | 684.44 | K | Joback Calculated Property |
| Tfus | 250.24 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.45; 353.80] | J/mol×K | [491.96; 684.44] |
|
| Cp,gas | 290.45 | J/mol×K | 491.96 | Joback Calculated Property |
| Cp,gas | 302.32 | J/mol×K | 524.04 | Joback Calculated Property |
| Cp,gas | 313.65 | J/mol×K | 556.12 | Joback Calculated Property |
| Cp,gas | 324.45 | J/mol×K | 588.20 | Joback Calculated Property |
| Cp,gas | 334.74 | J/mol×K | 620.28 | Joback Calculated Property |
| Cp,gas | 344.52 | J/mol×K | 652.36 | Joback Calculated Property |
| Cp,gas | 353.80 | J/mol×K | 684.44 | Joback Calculated Property |
| η | [0.0002384; 0.0056683] | Pa×s | [250.24; 491.96] |
|
| η | 0.0056683 | Pa×s | 250.24 | Joback Calculated Property |
| η | 0.0023178 | Pa×s | 290.53 | Joback Calculated Property |
| η | 0.0011784 | Pa×s | 330.81 | Joback Calculated Property |
| η | 0.0006939 | Pa×s | 371.10 | Joback Calculated Property |
| η | 0.0004533 | Pa×s | 411.39 | Joback Calculated Property |
| η | 0.0003194 | Pa×s | 451.67 | Joback Calculated Property |
| η | 0.0002384 | Pa×s | 491.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-chloro, 1-methyl-3-butenyl ester.
Sources
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