- InChI
- InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-26(28)21-22-27(29)31-25(4)24(2)3/h21-22,24-25H,5-20,23H2,1-4H3/b22-21+
- InChI Key
- ZFDMIYUQICYKLT-QURGRASLSA-N
- Formula
- C27H50O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=
O)OC(C)C(C)C - Molecular Weight1
- 438.68
- 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 | 1.2036 | Relay (... Calculated Property | |
| ΔfG° | -216.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1131.21 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 64.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.05 | kJ/mol | Relay (... Calculated Property |
| IE | 10.09 | eV | Relay (... Calculated Property |
| log10WS | -8.12 | Relay (... Calculated Property | |
| logPoct/wat | 7.935 | Crippen Calculated Property | |
| McVol | 401.870 | ml/mol | McGowan Calculated Property |
| Pc | 750.61 | kPa | Joback Calculated Property |
| Inp | [2955.00; 2955.00] |
|
|
| Inp | 2955.00 | NIST | |
| Inp | 2955.00 | NIST | |
| Tboil | 646.53 | K | Relay (... Calculated Property |
| Tc | 827.39 | K | Relay (... Calculated Property |
| Tfus | 307.92 | K | Relay (... Calculated Property |
| Vc | 1.512 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1382.46; 1485.71] | J/mol×K | [973.02; 1197.14] |
|
| Cp,gas | 1382.46 | J/mol×K | 973.02 | Joback Calculated Property |
| Cp,gas | 1403.49 | J/mol×K | 1010.37 | Joback Calculated Property |
| Cp,gas | 1422.90 | J/mol×K | 1047.73 | Joback Calculated Property |
| Cp,gas | 1440.75 | J/mol×K | 1085.08 | Joback Calculated Property |
| Cp,gas | 1457.13 | J/mol×K | 1122.43 | Joback Calculated Property |
| Cp,gas | 1472.09 | J/mol×K | 1159.79 | Joback Calculated Property |
| Cp,gas | 1485.71 | J/mol×K | 1197.14 | Joback Calculated Property |
| η | [0.0000134; 0.0004419] | Pa×s | [503.29; 973.02] |
|
| η | 0.0004419 | Pa×s | 503.29 | Joback Calculated Property |
| η | 0.0001669 | Pa×s | 581.58 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 659.87 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 738.15 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 816.44 | Joback Calculated Property |
| η | 0.0000187 | Pa×s | 894.73 | Joback Calculated Property |
| η | 0.0000134 | Pa×s | 973.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-methylbut-2-yl octadecyl ester.
Sources
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