- InChI
- InChI=1S/C28H36F2O4/c1-3-4-5-6-7-8-9-10-11-14-20-33-27(31)22-16-12-13-17-23(22)28(32)34-21(2)26-24(29)18-15-19-25(26)30/h12-13,15-19,21H,3-11,14,20H2,1-2H3
- InChI Key
- ASOYNBUWHBOLEZ-UHFFFAOYSA-N
- Formula
- C28H36F2O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OC(C)c1c(F)cccc1F - Molecular Weight1
- 474.58
- 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 | 1.1835 | Relay (1.0) Calculated Property | |
| ΔfG° | -479.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1123.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.960 | Crippen Calculated Property | |
| McVol | 376.280 | ml/mol | McGowan Calculated Property |
| Pc | 930.07 | kPa | Joback Calculated Property |
| Inp | 3140.00 | NIST | |
| Tboil | 691.73 | K | Relay (1.0) Calculated Property |
| Tc | 932.35 | K | Relay (1.0) Calculated Property |
| Tfus | 315.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1271.60; 1331.86] | J/mol×K | [1059.02; 1298.04] | 
|
| Cp,gas | 1271.60 | J/mol×K | 1059.02 | Joback Calculated Property |
| Cp,gas | 1285.69 | J/mol×K | 1098.86 | Joback Calculated Property |
| Cp,gas | 1298.08 | J/mol×K | 1138.69 | Joback Calculated Property |
| Cp,gas | 1308.82 | J/mol×K | 1178.53 | Joback Calculated Property |
| Cp,gas | 1317.98 | J/mol×K | 1218.36 | Joback Calculated Property |
| Cp,gas | 1325.64 | J/mol×K | 1258.20 | Joback Calculated Property |
| Cp,gas | 1331.86 | J/mol×K | 1298.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 1-(2,6-difluorophenyl)ethyl dodecyl ester.
Sources
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