- InChI
- InChI=1S/C13H24O2/c1-5-6-7-8-9-13(14)15-12(4)10-11(2)3/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+
- InChI Key
- JPSUTLBTGVSEDA-CMDGGOBGSA-N
- Formula
- C13H24O2
- SMILES
- CCCCC=CC(=O)OC(C)CC(C)C
- Molecular Weight1
- 212.33
- 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.
- 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° | -100.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | [1413.00; 1413.00] |
|
|
| Inp | 1413.00 | NIST | |
| Inp | 1413.00 | NIST | |
| Tboil | 576.41 | K | Joback Calculated Property |
| Tc | 757.85 | K | Joback Calculated Property |
| Tfus | 273.35 | K | Joback Calculated Property |
| Vc | 0.755 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.46; 585.30] | J/mol×K | [576.41; 757.85] |
|
| Cp,gas | 496.46 | J/mol×K | 576.41 | Joback Calculated Property |
| Cp,gas | 513.09 | J/mol×K | 606.65 | Joback Calculated Property |
| Cp,gas | 528.96 | J/mol×K | 636.89 | Joback Calculated Property |
| Cp,gas | 544.10 | J/mol×K | 667.13 | Joback Calculated Property |
| Cp,gas | 558.53 | J/mol×K | 697.37 | Joback Calculated Property |
| Cp,gas | 572.25 | J/mol×K | 727.61 | Joback Calculated Property |
| Cp,gas | 585.30 | J/mol×K | 757.85 | Joback Calculated Property |
| η | [0.0001271; 0.0054561] | Pa×s | [273.35; 576.41] |
|
| η | 0.0054561 | Pa×s | 273.35 | Joback Calculated Property |
| η | 0.0017887 | Pa×s | 323.86 | Joback Calculated Property |
| η | 0.0007923 | Pa×s | 374.37 | Joback Calculated Property |
| η | 0.0004259 | Pa×s | 424.88 | Joback Calculated Property |
| η | 0.0002612 | Pa×s | 475.39 | Joback Calculated Property |
| η | 0.0001760 | Pa×s | 525.90 | Joback Calculated Property |
| η | 0.0001271 | Pa×s | 576.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, 4-methyl-2-pentyl ester.
Sources
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