- InChI
- InChI=1S/C18H19F5O4/c1-2-3-4-5-6-7-10-26-11(24)8-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h8-9H,2-7,10H2,1H3/b9-8+
- InChI Key
- GABRCILTWUNFQQ-CMDGGOBGSA-N
- Formula
- C18H19F5O4
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)Oc1c(F)c
(F)c(F)c(F)c1F - Molecular Weight1
- 394.33
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.9642 | Relay (1.0) Calculated Property | |
| ΔfG° | -1196.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1472.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.747 | Crippen Calculated Property | |
| McVol | 260.150 | ml/mol | McGowan Calculated Property |
| Pc | 1302.35 | kPa | Joback Calculated Property |
| Inp | [2051.00; 2051.00] |
|
|
| Inp | 2051.00 | NIST | |
| Inp | 2051.00 | NIST | |
| Tboil | 577.45 | K | Relay (1.0) Calculated Property |
| Tc | 768.63 | K | Relay (1.0) Calculated Property |
| Tfus | 305.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.957 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.72; 834.93] | J/mol×K | [815.91; 1003.24] |
|
| Cp,gas | 769.72 | J/mol×K | 815.91 | Joback Calculated Property |
| Cp,gas | 782.63 | J/mol×K | 847.13 | Joback Calculated Property |
| Cp,gas | 794.72 | J/mol×K | 878.35 | Joback Calculated Property |
| Cp,gas | 805.98 | J/mol×K | 909.57 | Joback Calculated Property |
| Cp,gas | 816.43 | J/mol×K | 940.79 | Joback Calculated Property |
| Cp,gas | 826.07 | J/mol×K | 972.02 | Joback Calculated Property |
| Cp,gas | 834.93 | J/mol×K | 1003.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octyl pentafluorophenyl ester.
Sources
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