- InChI
- InChI=1S/C13H23ClO2/c1-12(2)11-13(15)16-10-8-6-4-3-5-7-9-14/h11H,3-10H2,1-2H3
- InChI Key
- TWGZIXOWCXUULI-UHFFFAOYSA-N
- Formula
- C13H23ClO2
- SMILES
- CC(C)=CC(=O)OCCCCCCCCCl
- Molecular Weight1
- 246.77
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.7253 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.075 | Crippen Calculated Property | |
| McVol | 209.410 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | 1844.00 | NIST | |
| Tboil | 555.23 | K | Relay (1.0) Calculated Property |
| Tc | 754.29 | K | Relay (1.0) Calculated Property |
| Tfus | 281.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.769 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.32; 609.24] | J/mol×K | [614.60; 796.78] | 
|
| Cp,gas | 527.32 | J/mol×K | 614.60 | Joback Calculated Property |
| Cp,gas | 542.71 | J/mol×K | 644.96 | Joback Calculated Property |
| Cp,gas | 557.38 | J/mol×K | 675.33 | Joback Calculated Property |
| Cp,gas | 571.34 | J/mol×K | 705.69 | Joback Calculated Property |
| Cp,gas | 584.62 | J/mol×K | 736.06 | Joback Calculated Property |
| Cp,gas | 597.25 | J/mol×K | 766.42 | Joback Calculated Property |
| Cp,gas | 609.24 | J/mol×K | 796.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-2-enoic acid, 8-chlorooctyl ester.
Sources
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