- InChI
- InChI=1S/C28H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-26(29)22-23-27(30)32-25(2)28(3,4)5/h22-23,25H,6-21,24H2,1-5H3/b23-22+
- InChI Key
- JQOWQHQKOMWCID-GHVJWSGMSA-N
- Formula
- C28H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=
O)OC(C)C(C)(C)C - Molecular Weight1
- 452.71
- 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 | 1.2024 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1156.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.325 | Crippen Calculated Property | |
| McVol | 415.960 | ml/mol | McGowan Calculated Property |
| Pc | 716.83 | kPa | Joback Calculated Property |
| Inp | [3044.00; 3044.00] |
|
|
| Inp | 3044.00 | NIST | |
| Inp | 3044.00 | NIST | |
| Tboil | 651.73 | K | Relay (1.0) Calculated Property |
| Tc | 835.45 | K | Relay (1.0) Calculated Property |
| Tfus | 323.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1446.35; 1554.10] | J/mol×K | [993.11; 1222.73] |
|
| Cp,gas | 1446.35 | J/mol×K | 993.11 | Joback Calculated Property |
| Cp,gas | 1467.84 | J/mol×K | 1031.38 | Joback Calculated Property |
| Cp,gas | 1487.77 | J/mol×K | 1069.65 | Joback Calculated Property |
| Cp,gas | 1506.26 | J/mol×K | 1107.92 | Joback Calculated Property |
| Cp,gas | 1523.41 | J/mol×K | 1146.19 | Joback Calculated Property |
| Cp,gas | 1539.32 | J/mol×K | 1184.46 | Joback Calculated Property |
| Cp,gas | 1554.10 | J/mol×K | 1222.73 | Joback Calculated Property |
| η | [0.0000095; 0.0002963] | Pa×s | [531.98; 993.11] |
|
| η | 0.0002963 | Pa×s | 531.98 | Joback Calculated Property |
| η | 0.0001164 | Pa×s | 608.84 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 685.69 | Joback Calculated Property |
| η | 0.0000316 | Pa×s | 762.55 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 839.40 | Joback Calculated Property |
| η | 0.0000133 | Pa×s | 916.26 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 993.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl octadecyl ester.
Sources
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