- InChI
- InChI=1S/C22H26O4/c1-3-5-8-17(4-2)16-25-21(23)13-14-22(24)26-20-12-11-18-9-6-7-10-19(18)15-20/h6-7,9-15,17H,3-5,8,16H2,1-2H3/b14-13+
- InChI Key
- GSKZDCPRCVIIGF-BUHFOSPRSA-N
- Formula
- C22H26O4
- SMILES
-
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccc
2ccccc2c1 - Molecular Weight1
- 354.44
- 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° | -46.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.061 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1460.13 | kPa | Joback Calculated Property |
| Inp | [2824.00; 2824.00] |
|
|
| Inp | 2824.00 | NIST | |
| Inp | 2824.00 | NIST | |
| Tboil | 909.70 | K | Joback Calculated Property |
| Tc | 1129.77 | K | Joback Calculated Property |
| Tfus | 533.58 | K | Joback Calculated Property |
| Vc | 1.103 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [892.64; 966.69] | J/mol×K | [909.70; 1129.77] |
|
| Cp,gas | 892.64 | J/mol×K | 909.70 | Joback Calculated Property |
| Cp,gas | 907.34 | J/mol×K | 946.38 | Joback Calculated Property |
| Cp,gas | 921.00 | J/mol×K | 983.06 | Joback Calculated Property |
| Cp,gas | 933.69 | J/mol×K | 1019.74 | Joback Calculated Property |
| Cp,gas | 945.48 | J/mol×K | 1056.41 | Joback Calculated Property |
| Cp,gas | 956.46 | J/mol×K | 1093.09 | Joback Calculated Property |
| Cp,gas | 966.69 | J/mol×K | 1129.77 | Joback Calculated Property |
| η | [0.0000667; 0.0005922] | Pa×s | [533.58; 909.70] |
|
| η | 0.0005922 | Pa×s | 533.58 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 596.27 | Joback Calculated Property |
| η | 0.0002169 | Pa×s | 658.95 | Joback Calculated Property |
| η | 0.0001496 | Pa×s | 721.64 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 784.33 | Joback Calculated Property |
| η | 0.0000839 | Pa×s | 847.01 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 909.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, naphth-2-yl 2-ethylhexyl ester.
Sources
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