- InChI
- InChI=1S/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+
- InChI Key
- QMCVOSQFZZCSLN-VAWYXSNFSA-N
- Formula
- C16H28O4
- SMILES
- CCCCCCOC(=O)C=CC(=O)OCCCCCC
- Molecular Weight1
- 284.39
- CAS
- 19139-31-2
- Other Names
-
- di-n-Hexyl fumarate
- 2-Butenedioic acid (E)-, dihexyl ester
- Fumaric acid, dihexyl ester
- Dihexyl trans-butenedioate
- Hexyl fumarate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -303.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1467.98 | kPa | Joback Calculated Property |
| Tboil | 722.22 | K | Joback Calculated Property |
| Tc | 902.85 | K | Joback Calculated Property |
| Tfus | 409.32 | K | Joback Calculated Property |
| Vc | 0.960 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.41; 794.90] | J/mol×K | [722.22; 902.85] | 
|
| Cp,gas | 710.41 | J/mol×K | 722.22 | Joback Calculated Property |
| Cp,gas | 726.47 | J/mol×K | 752.33 | Joback Calculated Property |
| Cp,gas | 741.71 | J/mol×K | 782.43 | Joback Calculated Property |
| Cp,gas | 756.16 | J/mol×K | 812.54 | Joback Calculated Property |
| Cp,gas | 769.83 | J/mol×K | 842.64 | Joback Calculated Property |
| Cp,gas | 782.74 | J/mol×K | 872.75 | Joback Calculated Property |
| Cp,gas | 794.90 | J/mol×K | 902.85 | Joback Calculated Property |
| η | [0.0000801; 0.0011649] | Pa×s | [409.32; 722.22] |
|
| η | 0.0011649 | Pa×s | 409.32 | Joback Calculated Property |
| η | 0.0005794 | Pa×s | 461.47 | Joback Calculated Property |
| η | 0.0003321 | Pa×s | 513.62 | Joback Calculated Property |
| η | 0.0002109 | Pa×s | 565.77 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 617.92 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 670.07 | Joback Calculated Property |
| η | 0.0000801 | Pa×s | 722.22 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 454.00 ± 1.00 | K | 0.80 | NIST |
Similar Compounds
Find more compounds similar to Dihexyl fumarate.
Sources
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