- InChI
- InChI=1S/C20H22O4/c1-3-6-15(2)24-20(22)12-11-19(21)23-14-16-9-10-17-7-4-5-8-18(17)13-16/h4-5,7-13,15H,3,6,14H2,1-2H3/b12-11+
- InChI Key
- TVVDUBSOBJONGT-VAWYXSNFSA-N
- Formula
- C20H22O4
- SMILES
-
CCCC(C)OC(=O)C=CC(=O)OCc1ccc2c
cccc2c1 - Molecular Weight1
- 326.39
- 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° | -63.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 4.171 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1700.50 | kPa | Joback Calculated Property |
| Inp | [2590.00; 2590.00] |
|
|
| Inp | 2590.00 | NIST | |
| Inp | 2590.00 | NIST | |
| Tboil | 863.94 | K | Joback Calculated Property |
| Tc | 1085.85 | K | Joback Calculated Property |
| Tfus | 511.04 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.26; 847.67] | J/mol×K | [863.94; 1085.85] |
|
| Cp,gas | 776.26 | J/mol×K | 863.94 | Joback Calculated Property |
| Cp,gas | 790.51 | J/mol×K | 900.92 | Joback Calculated Property |
| Cp,gas | 803.73 | J/mol×K | 937.91 | Joback Calculated Property |
| Cp,gas | 815.99 | J/mol×K | 974.89 | Joback Calculated Property |
| Cp,gas | 827.35 | J/mol×K | 1011.88 | Joback Calculated Property |
| Cp,gas | 837.89 | J/mol×K | 1048.86 | Joback Calculated Property |
| Cp,gas | 847.67 | J/mol×K | 1085.85 | Joback Calculated Property |
| η | [0.0000867; 0.0007089] | Pa×s | [511.04; 863.94] |
|
| η | 0.0007089 | Pa×s | 511.04 | Joback Calculated Property |
| η | 0.0004169 | Pa×s | 569.86 | Joback Calculated Property |
| η | 0.0002708 | Pa×s | 628.67 | Joback Calculated Property |
| η | 0.0001893 | Pa×s | 687.49 | Joback Calculated Property |
| η | 0.0001401 | Pa×s | 746.31 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 805.12 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 863.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-pentyl naphth-2-ylmethyl ester.
Sources
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