- InChI
- InChI=1S/C27H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-26(28)19-20-27(29)33-23-17-18-24(30-2)25(22-23)31-3/h17-20,22H,4-16,21H2,1-3H3/b20-19+
- InChI Key
- ONRBYRMPPLMOJB-FMQUCBEESA-N
- Formula
- C27H42O6
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C=CC(=O)O
c1ccc(OC)c(OC)c1 - Molecular Weight1
- 462.62
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.3233 | Relay (... Calculated Property | |
| ΔfG° | -328.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1132.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 67.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -7.38 | Relay (... Calculated Property | |
| logPoct/wat | 6.800 | Crippen Calculated Property | |
| McVol | 389.850 | ml/mol | McGowan Calculated Property |
| Pc | 865.56 | kPa | Joback Calculated Property |
| Inp | [3507.00; 3507.00] |
|
|
| Inp | 3507.00 | NIST | |
| Inp | 3507.00 | NIST | |
| Tboil | 693.97 | K | Relay (... Calculated Property |
| Tc | 905.33 | K | Relay (... Calculated Property |
| Tfus | 355.59 | K | Relay (... Calculated Property |
| Vc | 1.449 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1333.77; 1396.65] | J/mol×K | [1055.38; 1297.97] |
|
| Cp,gas | 1333.77 | J/mol×K | 1055.38 | Joback Calculated Property |
| Cp,gas | 1349.26 | J/mol×K | 1095.81 | Joback Calculated Property |
| Cp,gas | 1362.70 | J/mol×K | 1136.24 | Joback Calculated Property |
| Cp,gas | 1374.12 | J/mol×K | 1176.68 | Joback Calculated Property |
| Cp,gas | 1383.56 | J/mol×K | 1217.11 | Joback Calculated Property |
| Cp,gas | 1391.06 | J/mol×K | 1257.54 | Joback Calculated Property |
| Cp,gas | 1396.65 | J/mol×K | 1297.97 | Joback Calculated Property |
| η | [0.0000095; 0.0001050] | Pa×s | [629.21; 1055.38] |
|
| η | 0.0001050 | Pa×s | 629.21 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 700.24 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 771.27 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 842.29 | Joback Calculated Property |
| η | 0.0000165 | Pa×s | 913.32 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 984.35 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 1055.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl pentadecyl ester.
Sources
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