- InChI
- InChI=1S/C19H32O2/c1-6-8-9-10-11-13-19(20)21-18(15-14-16(3)4)17(5)12-7-2/h17-18H,3,6-13H2,1-2,4-5H3
- InChI Key
- YTDNGZQHBSSRQN-UHFFFAOYSA-N
- Formula
- C19H32O2
- SMILES
-
C=C(C)C#CC(OC(=O)CCCCCCC)C(C)C
CC - 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° | 152.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.83 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 5.274 | Crippen Calculated Property | |
| McVol | 273.110 | ml/mol | McGowan Calculated Property |
| Pc | 1300.47 | kPa | Joback Calculated Property |
| Inp | 1835.00 | NIST | |
| Tboil | 715.09 | K | Joback Calculated Property |
| Tc | 903.91 | K | Joback Calculated Property |
| Tfus | 436.43 | K | Joback Calculated Property |
| Vc | 1.056 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.35; 879.56] | J/mol×K | [715.09; 903.91] | 
|
| Cp,gas | 780.35 | J/mol×K | 715.09 | Joback Calculated Property |
| Cp,gas | 799.21 | J/mol×K | 746.56 | Joback Calculated Property |
| Cp,gas | 817.10 | J/mol×K | 778.03 | Joback Calculated Property |
| Cp,gas | 834.05 | J/mol×K | 809.50 | Joback Calculated Property |
| Cp,gas | 850.10 | J/mol×K | 840.97 | Joback Calculated Property |
| Cp,gas | 865.26 | J/mol×K | 872.44 | Joback Calculated Property |
| Cp,gas | 879.56 | J/mol×K | 903.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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