- InChI
- InChI=1S/C18H24O4/c1-14(2)15(3)22-18(20)12-11-17(19)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3/b12-11+
- InChI Key
- ZHMLFTLVMAJOHS-VAWYXSNFSA-N
- Formula
- C18H24O4
- SMILES
-
CC(C)C(C)OC(=O)C=CC(=O)OCCCc1c
cccc1 - Molecular Weight1
- 304.38
- 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° | -179.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.306 | Crippen Calculated Property | |
| McVol | 251.300 | ml/mol | McGowan Calculated Property |
| Pc | 1659.19 | kPa | Joback Calculated Property |
| Inp | [2190.00; 2190.00] |
|
|
| Inp | 2190.00 | NIST | |
| Inp | 2190.00 | NIST | |
| Tboil | 793.78 | K | Joback Calculated Property |
| Tc | 1003.25 | K | Joback Calculated Property |
| Tfus | 428.28 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.65; 815.92] | J/mol×K | [793.78; 1003.25] |
|
| Cp,gas | 737.65 | J/mol×K | 793.78 | Joback Calculated Property |
| Cp,gas | 753.32 | J/mol×K | 828.69 | Joback Calculated Property |
| Cp,gas | 767.89 | J/mol×K | 863.60 | Joback Calculated Property |
| Cp,gas | 781.40 | J/mol×K | 898.52 | Joback Calculated Property |
| Cp,gas | 793.88 | J/mol×K | 933.43 | Joback Calculated Property |
| Cp,gas | 805.37 | J/mol×K | 968.34 | Joback Calculated Property |
| Cp,gas | 815.92 | J/mol×K | 1003.25 | Joback Calculated Property |
| η | [0.0000524; 0.0010956] | Pa×s | [428.28; 793.78] |
|
| η | 0.0010956 | Pa×s | 428.28 | Joback Calculated Property |
| η | 0.0004816 | Pa×s | 489.20 | Joback Calculated Property |
| η | 0.0002539 | Pa×s | 550.11 | Joback Calculated Property |
| η | 0.0001521 | Pa×s | 611.03 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 671.95 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 732.86 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 793.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-phenylpropyl 3-methylbut-2-yl ester.
Sources
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