- InChI
- InChI=1S/C20H29FO4/c1-5-9-18(14(2)3)25-20(23)13-8-12-19(22)24-15(4)16-10-6-7-11-17(16)21/h6-7,10-11,14-15,18H,5,8-9,12-13H2,1-4H3
- InChI Key
- CJDODDFSNSYGGX-UHFFFAOYSA-N
- Formula
- C20H29FO4
- SMILES
-
CCCC(OC(=O)CCCC(=O)OC(C)c1cccc
c1F)C(C)C - Molecular Weight1
- 352.44
- 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 | 0.8228 | Relay (1.0) Calculated Property | |
| ΔfG° | -449.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1064.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.968 | Crippen Calculated Property | |
| McVol | 285.550 | ml/mol | McGowan Calculated Property |
| Pc | 1321.35 | kPa | Joback Calculated Property |
| Inp | 2253.00 | NIST | |
| Tboil | 608.24 | K | Relay (1.0) Calculated Property |
| Tc | 802.68 | K | Relay (1.0) Calculated Property |
| Tfus | 280.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.036 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.64; 965.97] | J/mol×K | [839.19; 1040.22] | 
|
| Cp,gas | 886.64 | J/mol×K | 839.19 | Joback Calculated Property |
| Cp,gas | 902.72 | J/mol×K | 872.69 | Joback Calculated Property |
| Cp,gas | 917.62 | J/mol×K | 906.20 | Joback Calculated Property |
| Cp,gas | 931.38 | J/mol×K | 939.70 | Joback Calculated Property |
| Cp,gas | 944.00 | J/mol×K | 973.21 | Joback Calculated Property |
| Cp,gas | 955.53 | J/mol×K | 1006.71 | Joback Calculated Property |
| Cp,gas | 965.97 | J/mol×K | 1040.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1-(2-fluorophenyl)ethyl 2-methylhex-3-yl ester.
Sources
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