- InChI
- InChI=1S/C22H33FO4/c1-4-7-8-9-10-11-12-16-26-20(24)22(5-2,6-3)21(25)27-19-15-13-14-18(23)17-19/h13-15,17H,4-12,16H2,1-3H3
- InChI Key
- WYLHMUXICRJGKO-UHFFFAOYSA-N
- Formula
- C22H33FO4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
c1cccc(F)c1 - Molecular Weight1
- 380.49
- 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 | 0.9476 | Relay (1.0) Calculated Property | |
| ΔfG° | -422.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1058.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.831 | Crippen Calculated Property | |
| McVol | 313.730 | ml/mol | McGowan Calculated Property |
| Pc | 1150.65 | kPa | Joback Calculated Property |
| Inp | 2349.00 | NIST | |
| Tboil | 633.77 | K | Relay (1.0) Calculated Property |
| Tc | 839.99 | K | Relay (1.0) Calculated Property |
| Tfus | 310.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.140 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.03; 1085.96] | J/mol×K | [883.04; 1086.27] | 
|
| Cp,gas | 1005.03 | J/mol×K | 883.04 | Joback Calculated Property |
| Cp,gas | 1021.31 | J/mol×K | 916.91 | Joback Calculated Property |
| Cp,gas | 1036.40 | J/mol×K | 950.78 | Joback Calculated Property |
| Cp,gas | 1050.37 | J/mol×K | 984.65 | Joback Calculated Property |
| Cp,gas | 1063.26 | J/mol×K | 1018.52 | Joback Calculated Property |
| Cp,gas | 1075.10 | J/mol×K | 1052.40 | Joback Calculated Property |
| Cp,gas | 1085.96 | J/mol×K | 1086.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-fluorophenyl nonyl ester.
Sources
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