- InChI
- InChI=1S/C20H26O2/c1-16(2)13-14-19(15-17(3)4)22-20(21)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,17,19H,1,8,11-12,15H2,2-4H3
- InChI Key
- SOXCAWAEMHJKAV-UHFFFAOYSA-N
- Formula
- C20H26O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCc1c
cccc1 - Molecular Weight1
- 298.42
- 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 | 0.6381 | Relay (... Calculated Property | |
| ΔfG° | 273.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.47 | eV | Relay (... Calculated Property |
| log10WS | -5.09 | Relay (... Calculated Property | |
| logPoct/wat | 4.547 | Crippen Calculated Property | |
| McVol | 263.440 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | 2075.00 | NIST | |
| Tboil | 594.75 | K | Relay (... Calculated Property |
| Tc | 810.72 | K | Relay (... Calculated Property |
| Tfus | 292.21 | K | Relay (... Calculated Property |
| Vc | 0.931 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.76; 845.30] | J/mol×K | [764.65; 981.71] | 
|
| Cp,gas | 753.76 | J/mol×K | 764.65 | Joback Calculated Property |
| Cp,gas | 771.85 | J/mol×K | 800.83 | Joback Calculated Property |
| Cp,gas | 788.73 | J/mol×K | 837.00 | Joback Calculated Property |
| Cp,gas | 804.46 | J/mol×K | 873.18 | Joback Calculated Property |
| Cp,gas | 819.10 | J/mol×K | 909.35 | Joback Calculated Property |
| Cp,gas | 832.70 | J/mol×K | 945.53 | Joback Calculated Property |
| Cp,gas | 845.30 | J/mol×K | 981.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.
Sources
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