- InChI
- InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-13-22-30-26(28)20-21-27(29)31-25-18-16-24(17-19-25)23-14-11-10-12-15-23/h10-12,14-21H,2-9,13,22H2,1H3/b21-20+
- InChI Key
- PCXNPXFWWRYYTR-QZQOTICOSA-N
- Formula
- C27H34O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)Oc1cc
c(-c2ccccc2)cc1 - Molecular Weight1
- 422.56
- 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° | 4.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.18 | kJ/mol | Joback Calculated Property |
| log10WS | -8.55 | Crippen Calculated Property | |
| logPoct/wat | 6.889 | Crippen Calculated Property | |
| McVol | 354.350 | ml/mol | McGowan Calculated Property |
| Pc | 1097.17 | kPa | Joback Calculated Property |
| Inp | 3495.00 | NIST | |
| Tboil | 1032.24 | K | Joback Calculated Property |
| Tc | 1264.91 | K | Joback Calculated Property |
| Tfus | 598.65 | K | Joback Calculated Property |
| Vc | 1.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1169.92; 1239.74] | J/mol×K | [1032.24; 1264.91] | 
|
| Cp,gas | 1169.92 | J/mol×K | 1032.24 | Joback Calculated Property |
| Cp,gas | 1184.59 | J/mol×K | 1071.02 | Joback Calculated Property |
| Cp,gas | 1197.92 | J/mol×K | 1109.80 | Joback Calculated Property |
| Cp,gas | 1210.01 | J/mol×K | 1148.57 | Joback Calculated Property |
| Cp,gas | 1220.95 | J/mol×K | 1187.35 | Joback Calculated Property |
| Cp,gas | 1230.83 | J/mol×K | 1226.13 | Joback Calculated Property |
| Cp,gas | 1239.74 | J/mol×K | 1264.91 | Joback Calculated Property |
| η | [0.0000179; 0.0002203] | Pa×s | [598.65; 1032.24] |
|
| η | 0.0002203 | Pa×s | 598.65 | Joback Calculated Property |
| η | 0.0001156 | Pa×s | 670.92 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 743.18 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 815.45 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 887.71 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 959.98 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 1032.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-phenylphenyl undecyl ester.
Sources
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