- InChI
- InChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-18(19)16-17(2)3/h16H,4-12,15H2,1-3H3
- InChI Key
- VKDYHHDVGVKPJS-UHFFFAOYSA-N
- Formula
- C18H30O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)C=C(C)C
- Molecular Weight1
- 278.43
- 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° | 141.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.87 | Crippen Calculated Property | |
| logPoct/wat | 5.030 | Crippen Calculated Property | |
| McVol | 259.020 | ml/mol | McGowan Calculated Property |
| Pc | 1389.18 | kPa | Joback Calculated Property |
| Inp | 2035.00 | NIST | |
| Tboil | 700.57 | K | Joback Calculated Property |
| Tc | 888.32 | K | Joback Calculated Property |
| Tfus | 451.84 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.10; 819.62] | J/mol×K | [700.57; 888.32] | 
|
| Cp,gas | 724.10 | J/mol×K | 700.57 | Joback Calculated Property |
| Cp,gas | 742.13 | J/mol×K | 731.86 | Joback Calculated Property |
| Cp,gas | 759.28 | J/mol×K | 763.15 | Joback Calculated Property |
| Cp,gas | 775.57 | J/mol×K | 794.44 | Joback Calculated Property |
| Cp,gas | 791.03 | J/mol×K | 825.73 | Joback Calculated Property |
| Cp,gas | 805.71 | J/mol×K | 857.03 | Joback Calculated Property |
| Cp,gas | 819.62 | J/mol×K | 888.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, tridec-2-ynyl ester.
Sources
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