- InChI
- InChI=1S/C13H24O2/c1-3-7-11(2)13(14)15-10-12-8-5-4-6-9-12/h11-12H,3-10H2,1-2H3
- InChI Key
- PGJSABZOWJTODI-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCCC(C)C(=O)OCC1CCCCC1
- Molecular Weight1
- 212.33
- ω : Acentric Factor.
- 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).
- 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 | 0.5451 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.546 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | 1478.00 | NIST | |
| Tboil | 527.24 | K | Relay (1.0) Calculated Property |
| Tc | 732.26 | K | Relay (1.0) Calculated Property |
| Tfus | 229.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [506.82; 611.27] | J/mol×K | [592.24; 792.82] | 
|
| Cp,gas | 506.82 | J/mol×K | 592.24 | Joback Calculated Property |
| Cp,gas | 526.80 | J/mol×K | 625.67 | Joback Calculated Property |
| Cp,gas | 545.72 | J/mol×K | 659.10 | Joback Calculated Property |
| Cp,gas | 563.61 | J/mol×K | 692.53 | Joback Calculated Property |
| Cp,gas | 580.48 | J/mol×K | 725.96 | Joback Calculated Property |
| Cp,gas | 596.36 | J/mol×K | 759.39 | Joback Calculated Property |
| Cp,gas | 611.27 | J/mol×K | 792.82 | Joback Calculated Property |
| η | [0.0001699; 0.0049796] | Pa×s | [300.81; 592.24] |
|
| η | 0.0049796 | Pa×s | 300.81 | Joback Calculated Property |
| η | 0.0019175 | Pa×s | 349.38 | Joback Calculated Property |
| η | 0.0009321 | Pa×s | 397.95 | Joback Calculated Property |
| η | 0.0005301 | Pa×s | 446.52 | Joback Calculated Property |
| η | 0.0003368 | Pa×s | 495.10 | Joback Calculated Property |
| η | 0.0002320 | Pa×s | 543.67 | Joback Calculated Property |
| η | 0.0001699 | Pa×s | 592.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylvaleric acid, cyclohexylmethyl ester.
Sources
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