- InChI
- InChI=1S/C23H26O5/c1-2-3-4-8-17-26-22(24)15-16-23(25)27-18-19-11-13-21(14-12-19)28-20-9-6-5-7-10-20/h5-7,9-16H,2-4,8,17-18H2,1H3/b16-15+
- InChI Key
- DJCCIZGIRQSSHP-FOCLMDBBSA-N
- Formula
- C23H26O5
- SMILES
-
CCCCCCOC(=O)C=CC(=O)OCc1ccc(Oc
2ccccc2)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° | -134.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.75 | Crippen Calculated Property | |
| logPoct/wat | 5.202 | Crippen Calculated Property | |
| McVol | 303.860 | ml/mol | McGowan Calculated Property |
| Pc | 1421.85 | kPa | Joback Calculated Property |
| Inp | [2910.00; 2910.00] |
|
|
| Inp | 2910.00 | NIST | |
| Inp | 2910.00 | NIST | |
| Tboil | 963.14 | K | Joback Calculated Property |
| Tc | 1189.95 | K | Joback Calculated Property |
| Tfus | 575.80 | K | Joback Calculated Property |
| Vc | 1.153 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.81; 1016.15] | J/mol×K | [963.14; 1189.95] |
|
| Cp,gas | 955.81 | J/mol×K | 963.14 | Joback Calculated Property |
| Cp,gas | 969.10 | J/mol×K | 1000.94 | Joback Calculated Property |
| Cp,gas | 981.03 | J/mol×K | 1038.74 | Joback Calculated Property |
| Cp,gas | 991.65 | J/mol×K | 1076.55 | Joback Calculated Property |
| Cp,gas | 1001.01 | J/mol×K | 1114.35 | Joback Calculated Property |
| Cp,gas | 1009.16 | J/mol×K | 1152.15 | Joback Calculated Property |
| Cp,gas | 1016.15 | J/mol×K | 1189.95 | Joback Calculated Property |
| η | [0.0000240; 0.0002448] | Pa×s | [575.80; 963.14] |
|
| η | 0.0002448 | Pa×s | 575.80 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 640.36 | Joback Calculated Property |
| η | 0.0000850 | Pa×s | 704.91 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 769.47 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 834.03 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 898.58 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 963.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl 4-phenoxybenzyl ester.
Sources
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