- InChI
- InChI=1S/C18H32O2/c1-3-5-7-9-10-11-12-13-15-17-20-18(19)16-14-8-6-4-2/h13-16H,3-12,17H2,1-2H3/b15-13+,16-14+
- InChI Key
- JPBQGOOHZHHKFM-WXUKJITCSA-N
- Formula
- C18H32O2
- SMILES
- CCCCC=CC(=O)OCC=CCCCCCCCC
- Molecular Weight1
- 280.45
- 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° | 27.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.93 | Crippen Calculated Property | |
| logPoct/wat | 5.583 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1279.16 | kPa | Joback Calculated Property |
| Inp | [2272.00; 2272.00] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2272.00 | NIST | |
| Tboil | 695.85 | K | Joback Calculated Property |
| Tc | 872.86 | K | Joback Calculated Property |
| Tfus | 354.62 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.84; 841.08] | J/mol×K | [695.85; 872.86] |
|
| Cp,gas | 745.84 | J/mol×K | 695.85 | Joback Calculated Property |
| Cp,gas | 763.70 | J/mol×K | 725.35 | Joback Calculated Property |
| Cp,gas | 780.72 | J/mol×K | 754.85 | Joback Calculated Property |
| Cp,gas | 796.93 | J/mol×K | 784.36 | Joback Calculated Property |
| Cp,gas | 812.37 | J/mol×K | 813.86 | Joback Calculated Property |
| Cp,gas | 827.07 | J/mol×K | 843.36 | Joback Calculated Property |
| Cp,gas | 841.08 | J/mol×K | 872.86 | Joback Calculated Property |
| η | [0.0000709; 0.0017692] | Pa×s | [354.62; 695.85] |
|
| η | 0.0017692 | Pa×s | 354.62 | Joback Calculated Property |
| η | 0.0007146 | Pa×s | 411.49 | Joback Calculated Property |
| η | 0.0003597 | Pa×s | 468.36 | Joback Calculated Property |
| η | 0.0002101 | Pa×s | 525.24 | Joback Calculated Property |
| η | 0.0001363 | Pa×s | 582.11 | Joback Calculated Property |
| η | 0.0000955 | Pa×s | 638.98 | Joback Calculated Property |
| η | 0.0000709 | Pa×s | 695.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, undec-2-en-1-yl ester.
Sources
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