- InChI
- InChI=1S/C18H13F5O4/c1-8(2)7-26-17(24)9-5-3-4-6-10(9)18(25)27-16-14(22)12(20)11(19)13(21)15(16)23/h3-6,8H,7H2,1-2H3
- InChI Key
- UJMANWUXNOAHJG-UHFFFAOYSA-N
- Formula
- C18H13F5O4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)Oc1c(
F)c(F)c(F)c(F)c1F - Molecular Weight1
- 388.29
- 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° | -1176.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1486.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.47 | Crippen Calculated Property | |
| logPoct/wat | 4.414 | Crippen Calculated Property | |
| McVol | 240.690 | ml/mol | McGowan Calculated Property |
| Pc | 1601.28 | kPa | Joback Calculated Property |
| Inp | [2022.00; 2022.00] |
|
|
| Inp | 2022.00 | NIST | |
| Inp | 2022.00 | NIST | |
| Tboil | 842.97 | K | Joback Calculated Property |
| Tc | 1046.62 | K | Joback Calculated Property |
| Tfus | 552.85 | K | Joback Calculated Property |
| Vc | 0.960 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.72; 752.56] | J/mol×K | [842.97; 1046.62] |
|
| Cp,gas | 699.72 | J/mol×K | 842.97 | Joback Calculated Property |
| Cp,gas | 711.00 | J/mol×K | 876.91 | Joback Calculated Property |
| Cp,gas | 721.29 | J/mol×K | 910.85 | Joback Calculated Property |
| Cp,gas | 730.59 | J/mol×K | 944.79 | Joback Calculated Property |
| Cp,gas | 738.90 | J/mol×K | 978.74 | Joback Calculated Property |
| Cp,gas | 746.22 | J/mol×K | 1012.68 | Joback Calculated Property |
| Cp,gas | 752.56 | J/mol×K | 1046.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isobutyl pentafluorophenyl ester.
Sources
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