- InChI
- InChI=1S/C18H28O2/c1-6-7-8-9-10-11-18(19)20-17(14-16(4)5)13-12-15(2)3/h9-10,16-17H,2,6-8,11,14H2,1,3-5H3/b10-9+
- InChI Key
- UELHPAAKTOJDNY-MDZDMXLPSA-N
- Formula
- C18H28O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CC=CCC
CC - Molecular Weight1
- 276.41
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5680 | Relay (... Calculated Property | |
| ΔfG° | 224.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.50 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -4.93 | Relay (... Calculated Property | |
| logPoct/wat | 4.660 | Crippen Calculated Property | |
| McVol | 254.720 | ml/mol | McGowan Calculated Property |
| Pc | 1451.25 | kPa | Joback Calculated Property |
| Inp | [1777.00; 1777.00] |
|
|
| Inp | 1777.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Tboil | 536.80 | K | Relay (... Calculated Property |
| Tc | 730.38 | K | Relay (... Calculated Property |
| Tfus | 236.21 | K | Relay (... Calculated Property |
| Vc | 0.886 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.89; 796.08] | J/mol×K | [696.37; 892.50] |
|
| Cp,gas | 700.89 | J/mol×K | 696.37 | Joback Calculated Property |
| Cp,gas | 719.02 | J/mol×K | 729.06 | Joback Calculated Property |
| Cp,gas | 736.19 | J/mol×K | 761.75 | Joback Calculated Property |
| Cp,gas | 752.44 | J/mol×K | 794.43 | Joback Calculated Property |
| Cp,gas | 767.81 | J/mol×K | 827.12 | Joback Calculated Property |
| Cp,gas | 782.35 | J/mol×K | 859.81 | Joback Calculated Property |
| Cp,gas | 796.08 | J/mol×K | 892.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oct-3-enoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester.
Sources
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