- InChI
- InChI=1S/C21H30O4/c1-5-7-10-17(6-2)15-24-20(22)13-14-21(23)25-19-12-9-8-11-18(19)16(3)4/h8-9,11-14,16-17H,5-7,10,15H2,1-4H3/b14-13+
- InChI Key
- YJZHPTOLPYRRIO-BUHFOSPRSA-N
- Formula
- C21H30O4
- SMILES
-
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccc
cc1C(C)C - Molecular Weight1
- 346.46
- 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° | -163.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 5.031 | Crippen Calculated Property | |
| McVol | 293.570 | ml/mol | McGowan Calculated Property |
| Pc | 1314.65 | kPa | Joback Calculated Property |
| Inp | [2361.00; 2361.00] |
|
|
| Inp | 2361.00 | NIST | |
| Inp | 2361.00 | NIST | |
| Tboil | 867.40 | K | Joback Calculated Property |
| Tc | 1075.64 | K | Joback Calculated Property |
| Tfus | 474.61 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [911.29; 991.25] | J/mol×K | [867.40; 1075.64] |
|
| Cp,gas | 911.29 | J/mol×K | 867.40 | Joback Calculated Property |
| Cp,gas | 927.41 | J/mol×K | 902.11 | Joback Calculated Property |
| Cp,gas | 942.36 | J/mol×K | 936.81 | Joback Calculated Property |
| Cp,gas | 956.18 | J/mol×K | 971.52 | Joback Calculated Property |
| Cp,gas | 968.91 | J/mol×K | 1006.23 | Joback Calculated Property |
| Cp,gas | 980.59 | J/mol×K | 1040.93 | Joback Calculated Property |
| Cp,gas | 991.25 | J/mol×K | 1075.64 | Joback Calculated Property |
| η | [0.0000348; 0.0006444] | Pa×s | [474.61; 867.40] |
|
| η | 0.0006444 | Pa×s | 474.61 | Joback Calculated Property |
| η | 0.0002951 | Pa×s | 540.08 | Joback Calculated Property |
| η | 0.0001600 | Pa×s | 605.54 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 671.00 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 736.47 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 801.93 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 867.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-isopropylphenyl 2-ethylhexyl ester.
Sources
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