- InChI
- InChI=1S/C13H24O2/c1-4-6-7-8-9-11-15-13(14)12(3)10-5-2/h5,12H,2,4,6-11H2,1,3H3
- InChI Key
- YYWMOBAOYMHVJR-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- C=CCC(C)C(=O)OCCCCCCC
- 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° | -89.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 3.712 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | [1411.00; 1411.00] |
|
|
| Inp | 1411.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Tboil | 569.37 | K | Joback Calculated Property |
| Tc | 743.83 | K | Joback Calculated Property |
| Tfus | 291.67 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.52; 581.36] | J/mol×K | [569.37; 743.83] |
|
| Cp,gas | 494.52 | J/mol×K | 569.37 | Joback Calculated Property |
| Cp,gas | 510.67 | J/mol×K | 598.45 | Joback Calculated Property |
| Cp,gas | 526.12 | J/mol×K | 627.52 | Joback Calculated Property |
| Cp,gas | 540.91 | J/mol×K | 656.60 | Joback Calculated Property |
| Cp,gas | 555.03 | J/mol×K | 685.68 | Joback Calculated Property |
| Cp,gas | 568.51 | J/mol×K | 714.75 | Joback Calculated Property |
| Cp,gas | 581.36 | J/mol×K | 743.83 | Joback Calculated Property |
| η | [0.0001648; 0.0037924] | Pa×s | [291.67; 569.37] |
|
| η | 0.0037924 | Pa×s | 291.67 | Joback Calculated Property |
| η | 0.0015720 | Pa×s | 337.95 | Joback Calculated Property |
| η | 0.0008057 | Pa×s | 384.24 | Joback Calculated Property |
| η | 0.0004767 | Pa×s | 430.52 | Joback Calculated Property |
| η | 0.0003123 | Pa×s | 476.80 | Joback Calculated Property |
| η | 0.0002205 | Pa×s | 523.09 | Joback Calculated Property |
| η | 0.0001648 | Pa×s | 569.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid, 2-methyl-, heptyl ester.
Sources
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