- InChI
- InChI=1S/C20H22O4/c1-4-17(14(2)3)23-19(21)12-13-20(22)24-18-11-7-9-15-8-5-6-10-16(15)18/h5-14,17H,4H2,1-3H3/b13-12+
- InChI Key
- TYHKHNKYZLQAOZ-OUKQBFOZSA-N
- Formula
- C20H22O4
- SMILES
-
CCC(OC(=O)C=CC(=O)Oc1cccc2cccc
c12)C(C)C - 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° | -65.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 4.279 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1711.78 | kPa | Joback Calculated Property |
| Inp | [2502.00; 2502.00] |
|
|
| Inp | 2502.00 | NIST | |
| Inp | 2502.00 | NIST | |
| Tboil | 863.50 | K | Joback Calculated Property |
| Tc | 1088.27 | K | Joback Calculated Property |
| Tfus | 496.04 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.80; 848.61] | J/mol×K | [863.50; 1088.27] |
|
| Cp,gas | 776.80 | J/mol×K | 863.50 | Joback Calculated Property |
| Cp,gas | 791.21 | J/mol×K | 900.96 | Joback Calculated Property |
| Cp,gas | 804.55 | J/mol×K | 938.42 | Joback Calculated Property |
| Cp,gas | 816.89 | J/mol×K | 975.89 | Joback Calculated Property |
| Cp,gas | 828.29 | J/mol×K | 1013.35 | Joback Calculated Property |
| Cp,gas | 838.85 | J/mol×K | 1050.81 | Joback Calculated Property |
| Cp,gas | 848.61 | J/mol×K | 1088.27 | Joback Calculated Property |
| η | [0.0000793; 0.0007818] | Pa×s | [496.04; 863.50] |
|
| η | 0.0007818 | Pa×s | 496.04 | Joback Calculated Property |
| η | 0.0004330 | Pa×s | 557.28 | Joback Calculated Property |
| η | 0.0002696 | Pa×s | 618.53 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 679.77 | Joback Calculated Property |
| η | 0.0001322 | Pa×s | 741.01 | Joback Calculated Property |
| η | 0.0001004 | Pa×s | 802.26 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 863.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, naphth-1-yl 2-methylpent-3-yl ester.
Sources
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