- InChI
- InChI=1S/C20H20O4/c1-2-3-15-23-19(21)13-14-20(22)24-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-14H,2-3,15H2,1H3/b14-13+
- InChI Key
- KYBLIMZAEQYWIQ-BUHFOSPRSA-N
- Formula
- C20H20O4
- SMILES
-
CCCCOC(=O)C=CC(=O)Oc1ccc(-c2cc
ccc2)cc1 - Molecular Weight1
- 324.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -54.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.60 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 4.158 | Crippen Calculated Property | |
| McVol | 255.720 | ml/mol | McGowan Calculated Property |
| Pc | 1815.41 | kPa | Joback Calculated Property |
| Inp | [2726.00; 2726.00] |
|
|
| Inp | 2726.00 | NIST | |
| Inp | 2726.00 | NIST | |
| Tboil | 872.08 | K | Joback Calculated Property |
| Tc | 1102.04 | K | Joback Calculated Property |
| Tfus | 519.76 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [754.10; 819.85] | J/mol×K | [872.08; 1102.04] |
|
| Cp,gas | 754.10 | J/mol×K | 872.08 | Joback Calculated Property |
| Cp,gas | 767.90 | J/mol×K | 910.41 | Joback Calculated Property |
| Cp,gas | 780.48 | J/mol×K | 948.73 | Joback Calculated Property |
| Cp,gas | 791.90 | J/mol×K | 987.06 | Joback Calculated Property |
| Cp,gas | 802.24 | J/mol×K | 1025.39 | Joback Calculated Property |
| Cp,gas | 811.53 | J/mol×K | 1063.71 | Joback Calculated Property |
| Cp,gas | 819.85 | J/mol×K | 1102.04 | Joback Calculated Property |
| η | [0.0000490; 0.0004750] | Pa×s | [519.76; 872.08] |
|
| η | 0.0004750 | Pa×s | 519.76 | Joback Calculated Property |
| η | 0.0002684 | Pa×s | 578.48 | Joback Calculated Property |
| η | 0.0001685 | Pa×s | 637.20 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 695.92 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 754.64 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 813.36 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 872.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 4-phenylphenyl ester.
Sources
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