- InChI
- InChI=1S/C20H28O5/c1-5-6-7-10-16(4)24-19(21)13-14-20(22)25-18-12-9-8-11-17(18)23-15(2)3/h8-9,11-16H,5-7,10H2,1-4H3/b14-13+
- InChI Key
- KVHCXKYCRMNSSY-BUHFOSPRSA-N
- Formula
- C20H28O5
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)Oc1cccc
c1OC(C)C - Molecular Weight1
- 348.43
- 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° | -277.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.96 | kJ/mol | Joback Calculated Property |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 4.447 | Crippen Calculated Property | |
| McVol | 285.350 | ml/mol | McGowan Calculated Property |
| Pc | 1393.33 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 866.94 | K | Joback Calculated Property |
| Tc | 1075.65 | K | Joback Calculated Property |
| Tfus | 485.57 | K | Joback Calculated Property |
| Vc | 1.081 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.18; 955.85] | J/mol×K | [866.94; 1075.65] |
|
| Cp,gas | 881.18 | J/mol×K | 866.94 | Joback Calculated Property |
| Cp,gas | 896.58 | J/mol×K | 901.72 | Joback Calculated Property |
| Cp,gas | 910.77 | J/mol×K | 936.51 | Joback Calculated Property |
| Cp,gas | 923.77 | J/mol×K | 971.29 | Joback Calculated Property |
| Cp,gas | 935.60 | J/mol×K | 1006.08 | Joback Calculated Property |
| Cp,gas | 946.29 | J/mol×K | 1040.86 | Joback Calculated Property |
| Cp,gas | 955.85 | J/mol×K | 1075.65 | Joback Calculated Property |
| η | [0.0000301; 0.0004923] | Pa×s | [485.57; 866.94] |
|
| η | 0.0004923 | Pa×s | 485.57 | Joback Calculated Property |
| η | 0.0002359 | Pa×s | 549.13 | Joback Calculated Property |
| η | 0.0001317 | Pa×s | 612.69 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 676.25 | Joback Calculated Property |
| η | 0.0000554 | Pa×s | 739.82 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 803.38 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 866.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-isopropoxyphenyl hept-2-yl ester.
Sources
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