- InChI
- InChI=1S/C14H26O2/c1-4-6-7-8-9-10-12-16-14(15)13(3)11-5-2/h5,13H,2,4,6-12H2,1,3H3
- InChI Key
- SFQGNIGOIWAEBZ-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- C=CCC(C)C(=O)OCCCCCCCC
- Molecular Weight1
- 226.35
- 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° | -81.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 4.102 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1644.42 | kPa | Joback Calculated Property |
| Inp | [1514.00; 1514.00] |
|
|
| Inp | 1514.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Tboil | 592.25 | K | Joback Calculated Property |
| Tc | 765.51 | K | Joback Calculated Property |
| Tfus | 302.94 | K | Joback Calculated Property |
| Vc | 0.819 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.03; 635.82] | J/mol×K | [592.25; 765.51] |
|
| Cp,gas | 546.03 | J/mol×K | 592.25 | Joback Calculated Property |
| Cp,gas | 562.74 | J/mol×K | 621.13 | Joback Calculated Property |
| Cp,gas | 578.74 | J/mol×K | 650.00 | Joback Calculated Property |
| Cp,gas | 594.03 | J/mol×K | 678.88 | Joback Calculated Property |
| Cp,gas | 608.62 | J/mol×K | 707.76 | Joback Calculated Property |
| Cp,gas | 622.55 | J/mol×K | 736.63 | Joback Calculated Property |
| Cp,gas | 635.82 | J/mol×K | 765.51 | Joback Calculated Property |
| η | [0.0001486; 0.0035593] | Pa×s | [302.94; 592.25] |
|
| η | 0.0035593 | Pa×s | 302.94 | Joback Calculated Property |
| η | 0.0014576 | Pa×s | 351.16 | Joback Calculated Property |
| η | 0.0007405 | Pa×s | 399.38 | Joback Calculated Property |
| η | 0.0004353 | Pa×s | 447.60 | Joback Calculated Property |
| η | 0.0002838 | Pa×s | 495.81 | Joback Calculated Property |
| η | 0.0001995 | Pa×s | 544.03 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 592.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid, 2-methyl-, octyl ester.
Sources
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