- InChI
- InChI=1S/C20H18O4/c1-3-15(2)23-19(21)13-14-20(22)24-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h1,4-12,15H,13-14H2,2H3
- InChI Key
- QPEGSWSGEASGCR-UHFFFAOYSA-N
- Formula
- C20H18O4
- SMILES
-
C#CC(C)OC(=O)CCC(=O)Oc1ccc(-c2
ccccc2)cc1 - Molecular Weight1
- 322.35
- 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 | 0.7179 | Relay (... Calculated Property | |
| ΔfG° | 85.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.22 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -4.85 | Relay (... Calculated Property | |
| logPoct/wat | 3.604 | Crippen Calculated Property | |
| McVol | 251.420 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | [2640.00; 2640.00] |
|
|
| Inp | 2640.00 | NIST | |
| Inp | 2640.00 | NIST | |
| Tboil | 676.94 | K | Relay (... Calculated Property |
| Tc | 904.71 | K | Relay (... Calculated Property |
| Tfus | 379.40 | K | Relay (... Calculated Property |
| Vc | 0.881 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.88; 789.18] | J/mol×K | [857.60; 1094.93] |
|
| Cp,gas | 725.88 | J/mol×K | 857.60 | Joback Calculated Property |
| Cp,gas | 739.49 | J/mol×K | 897.16 | Joback Calculated Property |
| Cp,gas | 751.81 | J/mol×K | 936.71 | Joback Calculated Property |
| Cp,gas | 762.88 | J/mol×K | 976.27 | Joback Calculated Property |
| Cp,gas | 772.77 | J/mol×K | 1015.82 | Joback Calculated Property |
| Cp,gas | 781.51 | J/mol×K | 1055.38 | Joback Calculated Property |
| Cp,gas | 789.18 | J/mol×K | 1094.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, but-3-yn-2-yl 4-biphenyl ester.
Sources
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