- InChI
- InChI=1S/C9H15ClO2/c1-4-6-7(3)12-9(11)8(10)5-2/h4,7-8H,1,5-6H2,2-3H3
- InChI Key
- XVIOVVXTFAHOIW-UHFFFAOYSA-N
- Formula
- C9H15ClO2
- SMILES
- C=CCC(C)OC(=O)C(Cl)CC
- Molecular Weight1
- 190.67
- 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° | -137.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 2.512 | Crippen Calculated Property | |
| McVol | 153.050 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | [1121.00; 1150.00] |
|
|
| Inp | 1140.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1140.00 | NIST | |
| I | [1565.00; 1590.00] |
|
|
| I | 1565.00 | NIST | |
| I | 1590.00 | NIST | |
| Tboil | 514.84 | K | Joback Calculated Property |
| Tc | 705.02 | K | Joback Calculated Property |
| Tfus | 261.51 | K | Joback Calculated Property |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.17; 402.69] | J/mol×K | [514.84; 705.02] |
|
| Cp,gas | 334.17 | J/mol×K | 514.84 | Joback Calculated Property |
| Cp,gas | 347.02 | J/mol×K | 546.54 | Joback Calculated Property |
| Cp,gas | 359.28 | J/mol×K | 578.23 | Joback Calculated Property |
| Cp,gas | 370.97 | J/mol×K | 609.93 | Joback Calculated Property |
| Cp,gas | 382.09 | J/mol×K | 641.62 | Joback Calculated Property |
| Cp,gas | 392.66 | J/mol×K | 673.32 | Joback Calculated Property |
| Cp,gas | 402.69 | J/mol×K | 705.02 | Joback Calculated Property |
| η | [0.0002189; 0.0054436] | Pa×s | [261.51; 514.84] |
|
| η | 0.0054436 | Pa×s | 261.51 | Joback Calculated Property |
| η | 0.0021958 | Pa×s | 303.73 | Joback Calculated Property |
| η | 0.0011055 | Pa×s | 345.95 | Joback Calculated Property |
| η | 0.0006461 | Pa×s | 388.18 | Joback Calculated Property |
| η | 0.0004196 | Pa×s | 430.40 | Joback Calculated Property |
| η | 0.0002944 | Pa×s | 472.62 | Joback Calculated Property |
| η | 0.0002189 | Pa×s | 514.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-chloro, 1-methyl-3-butenyl ester.
Sources
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