- InChI
- InChI=1S/C17H26O2/c1-6-7-8-9-10-17(18)19-16(13-15(4)5)12-11-14(2)3/h9-10,15-16H,2,6-8,13H2,1,3-5H3/b10-9+
- InChI Key
- UATXZPRBFVDGPA-MDZDMXLPSA-N
- Formula
- C17H26O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)C=CCCC
C - Molecular Weight1
- 262.39
- 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).
- 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° | 215.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -144.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.34 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 4.270 | Crippen Calculated Property | |
| McVol | 240.630 | ml/mol | McGowan Calculated Property |
| Pc | 1563.52 | kPa | Joback Calculated Property |
| Inp | [2211.00; 2211.00] |
|
|
| Inp | 2211.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Tboil | 673.49 | K | Joback Calculated Property |
| Tc | 871.65 | K | Joback Calculated Property |
| Tfus | 408.81 | K | Joback Calculated Property |
| Vc | 0.923 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.58; 738.97] | J/mol×K | [673.49; 871.65] |
|
| Cp,gas | 645.58 | J/mol×K | 673.49 | Joback Calculated Property |
| Cp,gas | 663.37 | J/mol×K | 706.52 | Joback Calculated Property |
| Cp,gas | 680.22 | J/mol×K | 739.54 | Joback Calculated Property |
| Cp,gas | 696.17 | J/mol×K | 772.57 | Joback Calculated Property |
| Cp,gas | 711.25 | J/mol×K | 805.59 | Joback Calculated Property |
| Cp,gas | 725.50 | J/mol×K | 838.62 | Joback Calculated Property |
| Cp,gas | 738.97 | J/mol×K | 871.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester.
Sources
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