- InChI
- InChI=1S/C8H13ClO2/c1-3-4-7(2)11-8(10)5-6-9/h3,7H,1,4-6H2,2H3
- InChI Key
- IVXMPKJYRQBPCG-UHFFFAOYSA-N
- Formula
- C8H13ClO2
- SMILES
- C=CCC(C)OC(=O)CCCl
- 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° | -143.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.123 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | [1102.00; 1128.00] |
|
|
| Inp | 1107.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1107.00 | NIST | |
| I | [1567.00; 1596.00] |
|
|
| I | 1581.00 | NIST | |
| I | 1567.00 | NIST | |
| I | 1596.00 | NIST | |
| I | 1581.00 | NIST | |
| Tboil | 492.40 | K | Joback Calculated Property |
| Tc | 680.78 | K | Joback Calculated Property |
| Tfus | 265.24 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.22; 352.05] | J/mol×K | [492.40; 680.78] |
|
| Cp,gas | 290.22 | J/mol×K | 492.40 | Joback Calculated Property |
| Cp,gas | 301.76 | J/mol×K | 523.80 | Joback Calculated Property |
| Cp,gas | 312.79 | J/mol×K | 555.19 | Joback Calculated Property |
| Cp,gas | 323.33 | J/mol×K | 586.59 | Joback Calculated Property |
| Cp,gas | 333.38 | J/mol×K | 617.98 | Joback Calculated Property |
| Cp,gas | 342.95 | J/mol×K | 649.38 | Joback Calculated Property |
| Cp,gas | 352.05 | J/mol×K | 680.78 | Joback Calculated Property |
| η | [0.0002517; 0.0039024] | Pa×s | [265.24; 492.40] |
|
| η | 0.0039024 | Pa×s | 265.24 | Joback Calculated Property |
| η | 0.0018579 | Pa×s | 303.10 | Joback Calculated Property |
| η | 0.0010430 | Pa×s | 340.96 | Joback Calculated Property |
| η | 0.0006571 | Pa×s | 378.82 | Joback Calculated Property |
| η | 0.0004503 | Pa×s | 416.68 | Joback Calculated Property |
| η | 0.0003286 | Pa×s | 454.54 | Joback Calculated Property |
| η | 0.0002517 | Pa×s | 492.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro, 1-methyl-3-butenyl ester.
Sources
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