- InChI
- InChI=1S/C22H40O6/c1-5-7-9-19(13-15-25-3)17-27-21(23)11-12-22(24)28-18-20(10-8-6-2)14-16-26-4/h11-12,19-20H,5-10,13-18H2,1-4H3/b12-11+
- InChI Key
- MVFJAKQKABCLEN-VAWYXSNFSA-N
- Formula
- C22H40O6
- SMILES
-
CCCCC(CCOC)COC(=O)C=CC(=O)OCC(
CCCC)CCOC - Molecular Weight1
- 400.55
- 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° | -468.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1144.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 4.315 | Crippen Calculated Property | |
| McVol | 343.160 | ml/mol | McGowan Calculated Property |
| Pc | 974.13 | kPa | Joback Calculated Property |
| Inp | [2607.00; 2607.00] |
|
|
| Inp | 2607.00 | NIST | |
| Inp | 2607.00 | NIST | |
| Tboil | 903.46 | K | Joback Calculated Property |
| Tc | 1106.10 | K | Joback Calculated Property |
| Tfus | 491.40 | K | Joback Calculated Property |
| Vc | 1.319 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1129.44; 1216.03] | J/mol×K | [903.46; 1106.10] |
|
| Cp,gas | 1129.44 | J/mol×K | 903.46 | Joback Calculated Property |
| Cp,gas | 1147.33 | J/mol×K | 937.23 | Joback Calculated Property |
| Cp,gas | 1163.82 | J/mol×K | 971.01 | Joback Calculated Property |
| Cp,gas | 1178.91 | J/mol×K | 1004.78 | Joback Calculated Property |
| Cp,gas | 1192.64 | J/mol×K | 1038.55 | Joback Calculated Property |
| Cp,gas | 1205.01 | J/mol×K | 1072.32 | Joback Calculated Property |
| Cp,gas | 1216.03 | J/mol×K | 1106.10 | Joback Calculated Property |
| η | [0.0000159; 0.0003788] | Pa×s | [491.40; 903.46] |
|
| η | 0.0003788 | Pa×s | 491.40 | Joback Calculated Property |
| η | 0.0001616 | Pa×s | 560.08 | Joback Calculated Property |
| η | 0.0000830 | Pa×s | 628.75 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 697.43 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 766.11 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 834.78 | Joback Calculated Property |
| η | 0.0000159 | Pa×s | 903.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(2-(2-methoxyethyl)hexyl) ester.
Sources
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