- InChI
- InChI=1S/C19H34O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21-19(20)17-15-6-4-2/h3-13,15,17-18H2,1-2H3
- InChI Key
- CZOVRBWHUCOPCC-UHFFFAOYSA-N
- Formula
- C19H34O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)CCCCC
- Molecular Weight1
- 294.47
- 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° | 77.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.20 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 5.644 | Crippen Calculated Property | |
| McVol | 277.410 | ml/mol | McGowan Calculated Property |
| Pc | 1243.33 | kPa | Joback Calculated Property |
| Inp | 2082.00 | NIST | |
| Tboil | 719.41 | K | Joback Calculated Property |
| Tc | 899.63 | K | Joback Calculated Property |
| Tfus | 482.15 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.56; 903.47] | J/mol×K | [719.41; 899.63] | 
|
| Cp,gas | 804.56 | J/mol×K | 719.41 | Joback Calculated Property |
| Cp,gas | 823.21 | J/mol×K | 749.45 | Joback Calculated Property |
| Cp,gas | 840.97 | J/mol×K | 779.48 | Joback Calculated Property |
| Cp,gas | 857.85 | J/mol×K | 809.52 | Joback Calculated Property |
| Cp,gas | 873.88 | J/mol×K | 839.56 | Joback Calculated Property |
| Cp,gas | 889.08 | J/mol×K | 869.59 | Joback Calculated Property |
| Cp,gas | 903.47 | J/mol×K | 899.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, tridec-2-ynyl ester.
Sources
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