- InChI
- InChI=1S/C27H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-26(29)21-22-27(30)32-25(3)24(2)28/h21-22,25H,4-20,23H2,1-3H3/b22-21+
- InChI Key
- IIMDZPHKOVFFPK-QURGRASLSA-N
- Formula
- C27H48O5
- SMILES
-
CCCCCCCCCCCCCCCCCCCOC(=O)C=CC(
=O)OC(C)C(C)=O - Molecular Weight1
- 452.67
- 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° | -342.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.32 | kJ/mol | Joback Calculated Property |
| log10WS | -8.10 | Crippen Calculated Property | |
| logPoct/wat | 7.258 | Crippen Calculated Property | |
| McVol | 403.440 | ml/mol | McGowan Calculated Property |
| Pc | 773.75 | kPa | Joback Calculated Property |
| Inp | [3161.00; 3161.00] |
|
|
| Inp | 3161.00 | NIST | |
| Inp | 3161.00 | NIST | |
| Tboil | 1027.33 | K | Joback Calculated Property |
| Tc | 1270.28 | K | Joback Calculated Property |
| Tfus | 568.22 | K | Joback Calculated Property |
| Vc | 1.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1400.55; 1492.57] | J/mol×K | [1027.33; 1270.28] |
|
| Cp,gas | 1400.55 | J/mol×K | 1027.33 | Joback Calculated Property |
| Cp,gas | 1420.09 | J/mol×K | 1067.82 | Joback Calculated Property |
| Cp,gas | 1437.83 | J/mol×K | 1108.31 | Joback Calculated Property |
| Cp,gas | 1453.86 | J/mol×K | 1148.81 | Joback Calculated Property |
| Cp,gas | 1468.27 | J/mol×K | 1189.30 | Joback Calculated Property |
| Cp,gas | 1481.14 | J/mol×K | 1229.79 | Joback Calculated Property |
| Cp,gas | 1492.57 | J/mol×K | 1270.28 | Joback Calculated Property |
| η | [0.0000137; 0.0002830] | Pa×s | [568.22; 1027.33] |
|
| η | 0.0002830 | Pa×s | 568.22 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 644.74 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 721.26 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 797.77 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 874.29 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 950.81 | Joback Calculated Property |
| η | 0.0000137 | Pa×s | 1027.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, nonadecyl 3-oxobut-2-yl ester.
Sources
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