- InChI
- InChI=1S/C17H22O5/c1-5-13(12(2)3)21-16(18)10-11-17(19)22-15-9-7-6-8-14(15)20-4/h6-13H,5H2,1-4H3/b11-10+
- InChI Key
- RJFOZJKPZIFEEV-ZHACJKMWSA-N
- Formula
- C17H22O5
- SMILES
-
CCC(OC(=O)C=CC(=O)Oc1ccccc1OC)
C(C)C - Molecular Weight1
- 306.35
- 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° | -302.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.135 | Crippen Calculated Property | |
| McVol | 243.080 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | [2144.00; 2144.00] |
|
|
| Inp | 2144.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Tboil | 798.30 | K | Joback Calculated Property |
| Tc | 1009.29 | K | Joback Calculated Property |
| Tfus | 451.76 | K | Joback Calculated Property |
| Vc | 0.913 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.20; 781.25] | J/mol×K | [798.30; 1009.29] |
|
| Cp,gas | 708.20 | J/mol×K | 798.30 | Joback Calculated Property |
| Cp,gas | 723.09 | J/mol×K | 833.47 | Joback Calculated Property |
| Cp,gas | 736.87 | J/mol×K | 868.63 | Joback Calculated Property |
| Cp,gas | 749.56 | J/mol×K | 903.80 | Joback Calculated Property |
| Cp,gas | 761.18 | J/mol×K | 938.96 | Joback Calculated Property |
| Cp,gas | 771.74 | J/mol×K | 974.13 | Joback Calculated Property |
| Cp,gas | 781.25 | J/mol×K | 1009.29 | Joback Calculated Property |
| η | [0.0000458; 0.0006771] | Pa×s | [451.76; 798.30] |
|
| η | 0.0006771 | Pa×s | 451.76 | Joback Calculated Property |
| η | 0.0003350 | Pa×s | 509.52 | Joback Calculated Property |
| η | 0.0001913 | Pa×s | 567.27 | Joback Calculated Property |
| η | 0.0001212 | Pa×s | 625.03 | Joback Calculated Property |
| η | 0.0000829 | Pa×s | 682.79 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 740.54 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 798.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methoxyphenyl 2-methylpent-3-yl ester.
Sources
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