- InChI
- InChI=1S/C18H19F5O4/c19-13-14(20)16(22)18(17(23)15(13)21)27-12(25)8-4-7-11(24)26-9-10-5-2-1-3-6-10/h10H,1-9H2
- InChI Key
- CGFXTKGTCFZKLG-UHFFFAOYSA-N
- Formula
- C18H19F5O4
- SMILES
-
O=C(CCCC(=O)Oc1c(F)c(F)c(F)c(F
)c1F)OCC1CCCCC1 - Molecular Weight1
- 394.33
- 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° | -1252.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1651.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.90 | kJ/mol | Joback Calculated Property |
| log10WS | -6.14 | Crippen Calculated Property | |
| logPoct/wat | 4.581 | Crippen Calculated Property | |
| McVol | 253.590 | ml/mol | McGowan Calculated Property |
| Pc | 1459.02 | kPa | Joback Calculated Property |
| Inp | [2124.00; 2124.00] |
|
|
| Inp | 2124.00 | NIST | |
| Inp | 2124.00 | NIST | |
| Tboil | 831.30 | K | Joback Calculated Property |
| Tc | 1028.83 | K | Joback Calculated Property |
| Tfus | 536.29 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.84; 857.00] | J/mol×K | [831.30; 1028.83] |
|
| Cp,gas | 789.84 | J/mol×K | 831.30 | Joback Calculated Property |
| Cp,gas | 803.84 | J/mol×K | 864.22 | Joback Calculated Property |
| Cp,gas | 816.71 | J/mol×K | 897.14 | Joback Calculated Property |
| Cp,gas | 828.46 | J/mol×K | 930.06 | Joback Calculated Property |
| Cp,gas | 839.09 | J/mol×K | 962.98 | Joback Calculated Property |
| Cp,gas | 848.60 | J/mol×K | 995.91 | Joback Calculated Property |
| Cp,gas | 857.00 | J/mol×K | 1028.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl pentafluorophenyl ester.
Sources
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