- InChI
- InChI=1S/C18H21FO4/c19-15-9-4-5-10-16(15)23-18(21)12-6-11-17(20)22-13-14-7-2-1-3-8-14/h1-2,4-5,9-10,14H,3,6-8,11-13H2
- InChI Key
- ULZHRPSFVDEUMZ-UHFFFAOYSA-N
- Formula
- C18H21FO4
- SMILES
-
O=C(CCCC(=O)Oc1ccccc1F)OCC1CC=
CCC1 - Molecular Weight1
- 320.36
- 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).
- 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° | -404.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -763.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.82 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 3.801 | Crippen Calculated Property | |
| McVol | 242.210 | ml/mol | McGowan Calculated Property |
| Pc | 1823.17 | kPa | Joback Calculated Property |
| Inp | 2369.00 | NIST | |
| Tboil | 813.46 | K | Joback Calculated Property |
| Tc | 1030.76 | K | Joback Calculated Property |
| Tfus | 484.61 | K | Joback Calculated Property |
| Vc | 0.920 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.86; 810.07] | J/mol×K | [813.46; 1030.76] | 
|
| Cp,gas | 735.86 | J/mol×K | 813.46 | Joback Calculated Property |
| Cp,gas | 751.43 | J/mol×K | 849.68 | Joback Calculated Property |
| Cp,gas | 765.68 | J/mol×K | 885.89 | Joback Calculated Property |
| Cp,gas | 778.64 | J/mol×K | 922.11 | Joback Calculated Property |
| Cp,gas | 790.35 | J/mol×K | 958.33 | Joback Calculated Property |
| Cp,gas | 800.81 | J/mol×K | 994.54 | Joback Calculated Property |
| Cp,gas | 810.07 | J/mol×K | 1030.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, (cyclohex-3-enyl)methyl 2-fluorophenyl ester.
Sources
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