- InChI
- InChI=1S/C19H24O3/c1-4-5-11-17(14-15(2)3)22-19(21)13-12-18(20)16-9-7-6-8-10-16/h6-10,15,17H,4,12-14H2,1-3H3
- InChI Key
- KDIQZXWQIFWWPS-UHFFFAOYSA-N
- Formula
- C19H24O3
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCC(=O)c1c
cccc1 - Molecular Weight1
- 300.39
- 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).
- 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° | 56.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 4.021 | Crippen Calculated Property | |
| McVol | 255.220 | ml/mol | McGowan Calculated Property |
| Pc | 1699.10 | kPa | Joback Calculated Property |
| Tboil | 799.08 | K | Joback Calculated Property |
| Tc | 1018.57 | K | Joback Calculated Property |
| Tfus | 528.50 | K | Joback Calculated Property |
| Vc | 0.972 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.01; 822.88] | J/mol×K | [799.08; 1018.57] | 
|
| Cp,gas | 742.01 | J/mol×K | 799.08 | Joback Calculated Property |
| Cp,gas | 758.31 | J/mol×K | 835.66 | Joback Calculated Property |
| Cp,gas | 773.42 | J/mol×K | 872.24 | Joback Calculated Property |
| Cp,gas | 787.39 | J/mol×K | 908.82 | Joback Calculated Property |
| Cp,gas | 800.26 | J/mol×K | 945.40 | Joback Calculated Property |
| Cp,gas | 812.08 | J/mol×K | 981.99 | Joback Calculated Property |
| Cp,gas | 822.88 | J/mol×K | 1018.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, 2-methyloct-5-yn-4-yl ester.
Sources
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