- InChI
- InChI=1S/C29H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-27(30)23-24-28(31)33-26(2)29(3,4)5/h23-24,26H,6-22,25H2,1-5H3/b24-23+
- InChI Key
- AMOCDQDWTBOODW-WCWDXBQESA-N
- Formula
- C29H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCOC(=O)C=CC(
=O)OC(C)C(C)(C)C - Molecular Weight1
- 466.74
- 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° | -193.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1028.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.73 | kJ/mol | Joback Calculated Property |
| log10WS | -9.41 | Crippen Calculated Property | |
| logPoct/wat | 8.715 | Crippen Calculated Property | |
| McVol | 430.050 | ml/mol | McGowan Calculated Property |
| Pc | 681.36 | kPa | Joback Calculated Property |
| Inp | [3147.00; 3147.00] |
|
|
| Inp | 3147.00 | NIST | |
| Inp | 3147.00 | NIST | |
| Tboil | 1015.99 | K | Joback Calculated Property |
| Tc | 1255.41 | K | Joback Calculated Property |
| Tfus | 543.25 | K | Joback Calculated Property |
| Vc | 1.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1511.33; 1622.07] | J/mol×K | [1015.99; 1255.41] |
|
| Cp,gas | 1511.33 | J/mol×K | 1015.99 | Joback Calculated Property |
| Cp,gas | 1533.54 | J/mol×K | 1055.89 | Joback Calculated Property |
| Cp,gas | 1554.09 | J/mol×K | 1095.80 | Joback Calculated Property |
| Cp,gas | 1573.09 | J/mol×K | 1135.70 | Joback Calculated Property |
| Cp,gas | 1590.67 | J/mol×K | 1175.60 | Joback Calculated Property |
| Cp,gas | 1606.96 | J/mol×K | 1215.51 | Joback Calculated Property |
| Cp,gas | 1622.07 | J/mol×K | 1255.41 | Joback Calculated Property |
| η | [0.0000081; 0.0002554] | Pa×s | [543.25; 1015.99] |
|
| η | 0.0002554 | Pa×s | 543.25 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 622.04 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 700.83 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 779.62 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 858.41 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 937.20 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 1015.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl nonadecyl ester.
Sources
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