- InChI
- InChI=1S/C23H26O5/c1-18(2)7-6-16-26-22(24)14-15-23(25)27-17-19-10-12-21(13-11-19)28-20-8-4-3-5-9-20/h3-5,8-15,18H,6-7,16-17H2,1-2H3/b15-14+
- InChI Key
- GNFCZMQYLXYVTP-CCEZHUSRSA-N
- Formula
- C23H26O5
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)OCc1ccc(
Oc2ccccc2)cc1 - Molecular Weight1
- 382.45
- 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° | -137.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -566.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.30 | kJ/mol | Joback Calculated Property |
| log10WS | -5.51 | Crippen Calculated Property | |
| logPoct/wat | 5.058 | Crippen Calculated Property | |
| McVol | 303.860 | ml/mol | McGowan Calculated Property |
| Pc | 1430.46 | kPa | Joback Calculated Property |
| Inp | [2867.00; 2867.00] |
|
|
| Inp | 2867.00 | NIST | |
| Inp | 2867.00 | NIST | |
| Tboil | 962.70 | K | Joback Calculated Property |
| Tc | 1191.34 | K | Joback Calculated Property |
| Tfus | 560.80 | K | Joback Calculated Property |
| Vc | 1.147 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.26; 1016.37] | J/mol×K | [962.70; 1191.34] |
|
| Cp,gas | 956.26 | J/mol×K | 962.70 | Joback Calculated Property |
| Cp,gas | 969.59 | J/mol×K | 1000.81 | Joback Calculated Property |
| Cp,gas | 981.53 | J/mol×K | 1038.91 | Joback Calculated Property |
| Cp,gas | 992.13 | J/mol×K | 1077.02 | Joback Calculated Property |
| Cp,gas | 1001.43 | J/mol×K | 1115.13 | Joback Calculated Property |
| Cp,gas | 1009.50 | J/mol×K | 1153.23 | Joback Calculated Property |
| Cp,gas | 1016.37 | J/mol×K | 1191.34 | Joback Calculated Property |
| η | [0.0000218; 0.0002673] | Pa×s | [560.80; 962.70] |
|
| η | 0.0002673 | Pa×s | 560.80 | Joback Calculated Property |
| η | 0.0001409 | Pa×s | 627.78 | Joback Calculated Property |
| η | 0.0000841 | Pa×s | 694.77 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 761.75 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 828.73 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 895.72 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 962.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl 4-phenoxybenzyl ester.
Sources
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