- InChI
- InChI=1S/C21H30O5/c1-5-7-10-17(6-2)15-24-20(22)13-14-21(23)26-19-12-9-8-11-18(19)25-16(3)4/h8-9,11-14,16-17H,5-7,10,15H2,1-4H3/b14-13+
- InChI Key
- RFGZZRQREVSUHI-BUHFOSPRSA-N
- Formula
- C21H30O5
- SMILES
-
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccc
cc1OC(C)C - Molecular Weight1
- 362.46
- 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° | -268.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.18 | kJ/mol | Joback Calculated Property |
| log10WS | -5.51 | Crippen Calculated Property | |
| logPoct/wat | 4.695 | Crippen Calculated Property | |
| McVol | 299.440 | ml/mol | McGowan Calculated Property |
| Pc | 1298.60 | kPa | Joback Calculated Property |
| Inp | [2437.00; 2437.00] |
|
|
| Inp | 2437.00 | NIST | |
| Inp | 2437.00 | NIST | |
| Tboil | 889.82 | K | Joback Calculated Property |
| Tc | 1099.16 | K | Joback Calculated Property |
| Tfus | 496.84 | K | Joback Calculated Property |
| Vc | 1.137 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [940.39; 1015.29] | J/mol×K | [889.82; 1099.16] |
|
| Cp,gas | 940.39 | J/mol×K | 889.82 | Joback Calculated Property |
| Cp,gas | 955.92 | J/mol×K | 924.71 | Joback Calculated Property |
| Cp,gas | 970.20 | J/mol×K | 959.60 | Joback Calculated Property |
| Cp,gas | 983.25 | J/mol×K | 994.49 | Joback Calculated Property |
| Cp,gas | 995.10 | J/mol×K | 1029.38 | Joback Calculated Property |
| Cp,gas | 1005.77 | J/mol×K | 1064.27 | Joback Calculated Property |
| Cp,gas | 1015.29 | J/mol×K | 1099.16 | Joback Calculated Property |
| η | [0.0000260; 0.0004392] | Pa×s | [496.84; 889.82] |
|
| η | 0.0004392 | Pa×s | 496.84 | Joback Calculated Property |
| η | 0.0002084 | Pa×s | 562.34 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 627.83 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 693.33 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 758.83 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 824.32 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 889.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-isopropoxyphenyl 2-ethylhexyl ester.
Sources
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