- InChI
- InChI=1S/C15H24O2/c1-6-8-13(5)14(11-10-12(3)4)17-15(16)9-7-2/h13-14H,3,6-9H2,1-2,4-5H3
- InChI Key
- WDNQNIPOFVRVLL-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
- C=C(C)C#CC(OC(=O)CCC)C(C)CCC
- Molecular Weight1
- 236.35
- 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° | 118.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.48 | Crippen Calculated Property | |
| logPoct/wat | 3.714 | Crippen Calculated Property | |
| McVol | 216.750 | ml/mol | McGowan Calculated Property |
| Pc | 1752.14 | kPa | Joback Calculated Property |
| Inp | 1472.00 | NIST | |
| Tboil | 623.57 | K | Joback Calculated Property |
| Tc | 819.24 | K | Joback Calculated Property |
| Tfus | 391.35 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.51; 651.31] | J/mol×K | [623.57; 819.24] | 
|
| Cp,gas | 559.51 | J/mol×K | 623.57 | Joback Calculated Property |
| Cp,gas | 576.89 | J/mol×K | 656.18 | Joback Calculated Property |
| Cp,gas | 593.41 | J/mol×K | 688.79 | Joback Calculated Property |
| Cp,gas | 609.09 | J/mol×K | 721.40 | Joback Calculated Property |
| Cp,gas | 623.95 | J/mol×K | 754.02 | Joback Calculated Property |
| Cp,gas | 638.02 | J/mol×K | 786.63 | Joback Calculated Property |
| Cp,gas | 651.31 | J/mol×K | 819.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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