- InChI
- InChI=1S/C17H20O4/c1-3-14(2)21-17(19)11-7-10-16(18)20-13-12-15-8-5-4-6-9-15/h1,4-6,8-9,14H,7,10-13H2,2H3
- InChI Key
- QSCVUFNECKYCKC-UHFFFAOYSA-N
- Formula
- C17H20O4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OCCc1cccc
c1 - Molecular Weight1
- 288.34
- 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 | 0.7101 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.507 | Crippen Calculated Property | |
| McVol | 232.910 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | [2042.00; 2042.00] |
|
|
| Inp | 2042.00 | NIST | |
| Inp | 2042.00 | NIST | |
| Tboil | 617.76 | K | Relay (1.0) Calculated Property |
| Tc | 810.14 | K | Relay (1.0) Calculated Property |
| Tfus | 303.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.832 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.79; 727.78] | J/mol×K | [757.30; 969.03] |
|
| Cp,gas | 653.79 | J/mol×K | 757.30 | Joback Calculated Property |
| Cp,gas | 668.63 | J/mol×K | 792.59 | Joback Calculated Property |
| Cp,gas | 682.43 | J/mol×K | 827.88 | Joback Calculated Property |
| Cp,gas | 695.22 | J/mol×K | 863.17 | Joback Calculated Property |
| Cp,gas | 707.02 | J/mol×K | 898.46 | Joback Calculated Property |
| Cp,gas | 717.87 | J/mol×K | 933.75 | Joback Calculated Property |
| Cp,gas | 727.78 | J/mol×K | 969.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl phenethyl ester.
Sources
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