- InChI
- InChI=1S/C18H30O2/c1-6-7-8-9-10-11-18(19)20-17(14-16(4)5)13-12-15(2)3/h16-17H,2,6-11,14H2,1,3-5H3
- InChI Key
- GDLMJDWMTXRVLS-UHFFFAOYSA-N
- Formula
- C18H30O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCC
C - Molecular Weight1
- 278.43
- 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 | 0.6750 | Relay (... Calculated Property | |
| ΔfG° | 143.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.35 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -5.19 | Relay (... Calculated Property | |
| logPoct/wat | 4.884 | Crippen Calculated Property | |
| McVol | 259.020 | ml/mol | McGowan Calculated Property |
| Pc | 1395.41 | kPa | Joback Calculated Property |
| Inp | [1753.00; 1753.00] |
|
|
| Inp | 1753.00 | NIST | |
| Inp | 1753.00 | NIST | |
| Tboil | 539.89 | K | Relay (... Calculated Property |
| Tc | 734.78 | K | Relay (... Calculated Property |
| Tfus | 254.06 | K | Relay (... Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.28; 821.03] | J/mol×K | [692.21; 882.14] |
|
| Cp,gas | 723.28 | J/mol×K | 692.21 | Joback Calculated Property |
| Cp,gas | 741.84 | J/mol×K | 723.87 | Joback Calculated Property |
| Cp,gas | 759.45 | J/mol×K | 755.52 | Joback Calculated Property |
| Cp,gas | 776.15 | J/mol×K | 787.18 | Joback Calculated Property |
| Cp,gas | 791.96 | J/mol×K | 818.83 | Joback Calculated Property |
| Cp,gas | 806.91 | J/mol×K | 850.49 | Joback Calculated Property |
| Cp,gas | 821.03 | J/mol×K | 882.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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