- InChI
- InChI=1S/C23H28O4/c1-3-4-5-6-9-18(2)27-23(25)15-14-22(24)26-17-19-12-13-20-10-7-8-11-21(20)16-19/h7-8,10-16,18H,3-6,9,17H2,1-2H3/b15-14+
- InChI Key
- ZLHWJTGCZWPQAC-CCEZHUSRSA-N
- Formula
- C23H28O4
- SMILES
-
CCCCCCC(C)OC(=O)C=CC(=O)OCc1cc
c2ccccc2c1 - Molecular Weight1
- 368.47
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9398 | Relay (1.0) Calculated Property | |
| ΔfG° | -37.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.341 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1358.63 | kPa | Joback Calculated Property |
| Inp | [2894.00; 2894.00] |
|
|
| Inp | 2894.00 | NIST | |
| Inp | 2894.00 | NIST | |
| Tboil | 684.78 | K | Relay (1.0) Calculated Property |
| Tc | 923.57 | K | Relay (1.0) Calculated Property |
| Tfus | 329.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.088 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [951.96; 1027.33] | J/mol×K | [932.58; 1152.87] |
|
| Cp,gas | 951.96 | J/mol×K | 932.58 | Joback Calculated Property |
| Cp,gas | 966.89 | J/mol×K | 969.29 | Joback Calculated Property |
| Cp,gas | 980.77 | J/mol×K | 1006.01 | Joback Calculated Property |
| Cp,gas | 993.67 | J/mol×K | 1042.72 | Joback Calculated Property |
| Cp,gas | 1005.68 | J/mol×K | 1079.44 | Joback Calculated Property |
| Cp,gas | 1016.88 | J/mol×K | 1116.15 | Joback Calculated Property |
| Cp,gas | 1027.33 | J/mol×K | 1152.87 | Joback Calculated Property |
| η | [0.0000583; 0.0005377] | Pa×s | [544.85; 932.58] |
|
| η | 0.0005377 | Pa×s | 544.85 | Joback Calculated Property |
| η | 0.0003051 | Pa×s | 609.47 | Joback Calculated Property |
| η | 0.0001930 | Pa×s | 674.09 | Joback Calculated Property |
| η | 0.0001323 | Pa×s | 738.71 | Joback Calculated Property |
| η | 0.0000963 | Pa×s | 803.34 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 867.96 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 932.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-octyl naphth-2-ylmethyl ester.
Sources
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