- InChI
- InChI=1S/C21H22O5/c1-16(2)14-24-20(22)12-13-21(23)25-15-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3/b13-12+
- InChI Key
- TWLMOCDQUHXQDK-OUKQBFOZSA-N
- Formula
- C21H22O5
- SMILES
-
CC(C)COC(=O)C=CC(=O)OCc1ccc(Oc
2ccccc2)cc1 - Molecular Weight1
- 354.40
- 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° | -153.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.85 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 4.277 | Crippen Calculated Property | |
| McVol | 275.680 | ml/mol | McGowan Calculated Property |
| Pc | 1663.26 | kPa | Joback Calculated Property |
| Inp | 2662.00 | NIST | |
| Tboil | 916.94 | K | Joback Calculated Property |
| Tc | 1146.76 | K | Joback Calculated Property |
| Tfus | 538.26 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.06; 899.33] | J/mol×K | [916.94; 1146.76] | 
|
| Cp,gas | 839.06 | J/mol×K | 916.94 | Joback Calculated Property |
| Cp,gas | 852.34 | J/mol×K | 955.24 | Joback Calculated Property |
| Cp,gas | 864.26 | J/mol×K | 993.55 | Joback Calculated Property |
| Cp,gas | 874.88 | J/mol×K | 1031.85 | Joback Calculated Property |
| Cp,gas | 884.24 | J/mol×K | 1070.15 | Joback Calculated Property |
| Cp,gas | 892.37 | J/mol×K | 1108.46 | Joback Calculated Property |
| Cp,gas | 899.33 | J/mol×K | 1146.76 | Joback Calculated Property |
| η | [0.0000292; 0.0003342] | Pa×s | [538.26; 916.94] |
|
| η | 0.0003342 | Pa×s | 538.26 | Joback Calculated Property |
| η | 0.0001799 | Pa×s | 601.37 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 664.49 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 727.60 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 790.71 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 853.83 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 916.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl 4-phenoxybenzyl ester.
Sources
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