- InChI
- InChI=1S/C22H22O4/c1-3-17(2)25-20(23)15-10-16-21(24)26-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h1,4-9,11-14,17,22H,10,15-16H2,2H3
- InChI Key
- LXNAPQKUUORICJ-UHFFFAOYSA-N
- Formula
- C22H22O4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OC(c1cccc
c1)c1ccccc1 - Molecular Weight1
- 350.41
- 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 | 0.7289 | Relay (1.0) Calculated Property | |
| ΔfG° | 109.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.054 | Crippen Calculated Property | |
| McVol | 279.600 | ml/mol | McGowan Calculated Property |
| Pc | 1718.88 | kPa | Joback Calculated Property |
| Inp | 2509.00 | NIST | |
| Tboil | 658.58 | K | Relay (1.0) Calculated Property |
| Tc | 906.04 | K | Relay (1.0) Calculated Property |
| Tfus | 342.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [841.82; 907.27] | J/mol×K | [897.94; 1132.20] | 
|
| Cp,gas | 841.82 | J/mol×K | 897.94 | Joback Calculated Property |
| Cp,gas | 855.86 | J/mol×K | 936.98 | Joback Calculated Property |
| Cp,gas | 868.56 | J/mol×K | 976.03 | Joback Calculated Property |
| Cp,gas | 879.97 | J/mol×K | 1015.07 | Joback Calculated Property |
| Cp,gas | 890.19 | J/mol×K | 1054.12 | Joback Calculated Property |
| Cp,gas | 899.26 | J/mol×K | 1093.16 | Joback Calculated Property |
| Cp,gas | 907.27 | J/mol×K | 1132.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl diphenylmethyl ester.
Sources
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