- InChI
- InChI=1S/C19H32O2/c1-4-6-8-10-11-12-13-15-17-19(20)21-18(3)16-14-9-7-5-2/h1,14,16,18H,5-13,15,17H2,2-3H3/b16-14+
- InChI Key
- FNRWYESTOQNFSD-JQIJEIRASA-N
- Formula
- C19H32O2
- SMILES
- C#CCCCCCCCCC(=O)OC(C)C=CCCCC
- Molecular Weight1
- 292.46
- 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° | 176.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.47 | kJ/mol | Joback Calculated Property |
| log10WS | -6.40 | Crippen Calculated Property | |
| logPoct/wat | 5.418 | Crippen Calculated Property | |
| McVol | 273.110 | ml/mol | McGowan Calculated Property |
| Pc | 1286.51 | kPa | Joback Calculated Property |
| Inp | [2007.00; 2007.00] |
|
|
| Inp | 2007.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Tboil | 704.25 | K | Joback Calculated Property |
| Tc | 884.88 | K | Joback Calculated Property |
| Tfus | 402.94 | K | Joback Calculated Property |
| Vc | 1.060 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.09; 871.96] | J/mol×K | [704.25; 884.88] |
|
| Cp,gas | 776.09 | J/mol×K | 704.25 | Joback Calculated Property |
| Cp,gas | 794.15 | J/mol×K | 734.36 | Joback Calculated Property |
| Cp,gas | 811.34 | J/mol×K | 764.46 | Joback Calculated Property |
| Cp,gas | 827.67 | J/mol×K | 794.57 | Joback Calculated Property |
| Cp,gas | 843.20 | J/mol×K | 824.67 | Joback Calculated Property |
| Cp,gas | 857.95 | J/mol×K | 854.78 | Joback Calculated Property |
| Cp,gas | 871.96 | J/mol×K | 884.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, oct-3-en-2-yl ester.
Sources
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