- InChI
- InChI=1S/C19H26O2/c1-4-5-13-18(15-16(2)3)21-19(20)14-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18H,4,9,12,14-15H2,1-3H3
- InChI Key
- RBVDGQJDPPXOLD-UHFFFAOYSA-N
- Formula
- C19H26O2
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCc1ccccc
1 - Molecular Weight1
- 286.41
- 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° | 185.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 4.381 | Crippen Calculated Property | |
| McVol | 253.650 | ml/mol | McGowan Calculated Property |
| Pc | 1614.17 | kPa | Joback Calculated Property |
| Inp | 2026.00 | NIST | |
| Tboil | 745.21 | K | Joback Calculated Property |
| Tc | 958.73 | K | Joback Calculated Property |
| Tfus | 478.57 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [722.64; 814.95] | J/mol×K | [745.21; 958.73] | 
|
| Cp,gas | 722.64 | J/mol×K | 745.21 | Joback Calculated Property |
| Cp,gas | 740.82 | J/mol×K | 780.80 | Joback Calculated Property |
| Cp,gas | 757.83 | J/mol×K | 816.38 | Joback Calculated Property |
| Cp,gas | 773.70 | J/mol×K | 851.97 | Joback Calculated Property |
| Cp,gas | 788.49 | J/mol×K | 887.56 | Joback Calculated Property |
| Cp,gas | 802.22 | J/mol×K | 923.15 | Joback Calculated Property |
| Cp,gas | 814.95 | J/mol×K | 958.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester.
Sources
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