- InChI
- InChI=1S/C22H38O2/c1-3-5-7-9-11-13-15-17-19-21-24-22(23)20-18-16-14-12-10-8-6-4-2/h2,17,19H,3,5-16,18,20-21H2,1H3/b19-17+
- InChI Key
- VMWNNSMMRDOOQX-HTXNQAPBSA-N
- Formula
- C22H38O2
- SMILES
- C#CCCCCCCCCC(=O)OCC=CCCCCCCCC
- Molecular Weight1
- 334.54
- 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° | 203.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.54 | kJ/mol | Joback Calculated Property |
| log10WS | -7.54 | Crippen Calculated Property | |
| logPoct/wat | 6.590 | Crippen Calculated Property | |
| McVol | 315.380 | ml/mol | McGowan Calculated Property |
| Pc | 1051.41 | kPa | Joback Calculated Property |
| Inp | [2406.00; 2406.00] |
|
|
| Inp | 2406.00 | NIST | |
| Inp | 2406.00 | NIST | |
| Tboil | 773.33 | K | Joback Calculated Property |
| Tc | 954.38 | K | Joback Calculated Property |
| Tfus | 451.75 | K | Joback Calculated Property |
| Vc | 1.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [952.07; 1052.72] | J/mol×K | [773.33; 954.38] |
|
| Cp,gas | 952.07 | J/mol×K | 773.33 | Joback Calculated Property |
| Cp,gas | 971.04 | J/mol×K | 803.51 | Joback Calculated Property |
| Cp,gas | 989.08 | J/mol×K | 833.68 | Joback Calculated Property |
| Cp,gas | 1006.23 | J/mol×K | 863.86 | Joback Calculated Property |
| Cp,gas | 1022.52 | J/mol×K | 894.03 | Joback Calculated Property |
| Cp,gas | 1038.00 | J/mol×K | 924.21 | Joback Calculated Property |
| Cp,gas | 1052.72 | J/mol×K | 954.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, undec-2-en-1-yl ester.
Sources
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