- InChI
- InChI=1S/C18H22O5/c1-21-15-9-5-6-10-16(15)23-18(20)12-11-17(19)22-13-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3/b12-11+
- InChI Key
- UZFWSYVAHCBDFQ-VAWYXSNFSA-N
- Formula
- C18H22O5
- SMILES
-
COc1ccccc1OC(=O)C=CC(=O)OCC1CC
CCC1 - Molecular Weight1
- 318.36
- 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° | -264.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.04 | Crippen Calculated Property | |
| logPoct/wat | 3.280 | Crippen Calculated Property | |
| McVol | 246.310 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Inp | [2475.00; 2475.00] |
|
|
| Inp | 2475.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Tboil | 841.61 | K | Joback Calculated Property |
| Tc | 1069.89 | K | Joback Calculated Property |
| Tfus | 500.41 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [758.00; 831.57] | J/mol×K | [841.61; 1069.89] |
|
| Cp,gas | 758.00 | J/mol×K | 841.61 | Joback Calculated Property |
| Cp,gas | 773.85 | J/mol×K | 879.66 | Joback Calculated Property |
| Cp,gas | 788.23 | J/mol×K | 917.70 | Joback Calculated Property |
| Cp,gas | 801.17 | J/mol×K | 955.75 | Joback Calculated Property |
| Cp,gas | 812.69 | J/mol×K | 993.79 | Joback Calculated Property |
| Cp,gas | 822.81 | J/mol×K | 1031.84 | Joback Calculated Property |
| Cp,gas | 831.57 | J/mol×K | 1069.89 | Joback Calculated Property |
| η | [0.0000492; 0.0005349] | Pa×s | [500.41; 841.61] |
|
| η | 0.0005349 | Pa×s | 500.41 | Joback Calculated Property |
| η | 0.0002933 | Pa×s | 557.28 | Joback Calculated Property |
| η | 0.0001798 | Pa×s | 614.14 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 671.01 | Joback Calculated Property |
| η | 0.0000849 | Pa×s | 727.88 | Joback Calculated Property |
| η | 0.0000633 | Pa×s | 784.74 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 841.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methoxyphenyl cyclohexylmethyl ester.
Sources
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