- InChI
- InChI=1S/C19H26O2/c1-5-7-13-17(14-15(3)4)21-19(20)18(6-2)16-11-9-8-10-12-16/h8-12,15,17-18H,5-6,14H2,1-4H3
- InChI Key
- LOJIOLGLNIGEJX-UHFFFAOYSA-N
- Formula
- C19H26O2
- SMILES
-
CCC#CC(CC(C)C)OC(=O)C(CC)c1ccc
cc1 - 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° | 183.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.552 | Crippen Calculated Property | |
| McVol | 253.650 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Inp | 1853.00 | NIST | |
| Tboil | 744.77 | K | Joback Calculated Property |
| Tc | 961.83 | K | Joback Calculated Property |
| Tfus | 463.57 | K | Joback Calculated Property |
| Vc | 0.960 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.15; 816.62] | J/mol×K | [744.77; 961.83] | 
|
| Cp,gas | 723.15 | J/mol×K | 744.77 | Joback Calculated Property |
| Cp,gas | 741.64 | J/mol×K | 780.95 | Joback Calculated Property |
| Cp,gas | 758.91 | J/mol×K | 817.12 | Joback Calculated Property |
| Cp,gas | 775.00 | J/mol×K | 853.30 | Joback Calculated Property |
| Cp,gas | 789.95 | J/mol×K | 889.47 | Joback Calculated Property |
| Cp,gas | 803.81 | J/mol×K | 925.65 | Joback Calculated Property |
| Cp,gas | 816.62 | J/mol×K | 961.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester.
Sources
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