- InChI
- InChI=1S/C22H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26-21(24)16-17-22(25)27-20(3)19(2)23/h16-17,20H,4-15,18H2,1-3H3/b17-16+
- InChI Key
- ZSXOHSCBRWJVHI-WUKNDPDISA-N
- Formula
- C22H38O5
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C=CC(=O)OC
(C)C(C)=O - Molecular Weight1
- 382.53
- 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° | -384.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -987.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.19 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 5.308 | Crippen Calculated Property | |
| McVol | 332.990 | ml/mol | McGowan Calculated Property |
| Pc | 1030.59 | kPa | Joback Calculated Property |
| Inp | [2659.00; 2659.00] |
|
|
| Inp | 2659.00 | NIST | |
| Inp | 2659.00 | NIST | |
| Tboil | 912.93 | K | Joback Calculated Property |
| Tc | 1117.71 | K | Joback Calculated Property |
| Tfus | 511.87 | K | Joback Calculated Property |
| Vc | 1.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1087.19; 1172.05] | J/mol×K | [912.93; 1117.71] |
|
| Cp,gas | 1087.19 | J/mol×K | 912.93 | Joback Calculated Property |
| Cp,gas | 1104.27 | J/mol×K | 947.06 | Joback Calculated Property |
| Cp,gas | 1120.12 | J/mol×K | 981.19 | Joback Calculated Property |
| Cp,gas | 1134.78 | J/mol×K | 1015.32 | Joback Calculated Property |
| Cp,gas | 1148.30 | J/mol×K | 1049.45 | Joback Calculated Property |
| Cp,gas | 1160.71 | J/mol×K | 1083.58 | Joback Calculated Property |
| Cp,gas | 1172.05 | J/mol×K | 1117.71 | Joback Calculated Property |
| η | [0.0000299; 0.0005436] | Pa×s | [511.87; 912.93] |
|
| η | 0.0005436 | Pa×s | 511.87 | Joback Calculated Property |
| η | 0.0002536 | Pa×s | 578.71 | Joback Calculated Property |
| η | 0.0001386 | Pa×s | 645.56 | Joback Calculated Property |
| η | 0.0000848 | Pa×s | 712.40 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 779.24 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 846.09 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 912.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-oxobut-2-yl tetradecyl ester.
Sources
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