- InChI
- InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-15-20-34-26(32)23-17-12-13-18-24(23)27(33)35-21-22-16-11-14-19-25(22)28(29,30)31/h11-14,16-19H,2-10,15,20-21H2,1H3
- InChI Key
- NMNXREAAKZBSGU-UHFFFAOYSA-N
- Formula
- C28H35F3O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCc1ccccc1C(F)(F)F - Molecular Weight1
- 492.57
- Other Names
-
- Phthalic acid, dodecyl 2-trifluorobenzyl ester
- 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° | -658.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1257.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.36 | kJ/mol | Joback Calculated Property |
| log10WS | -9.77 | Crippen Calculated Property | |
| logPoct/wat | 8.140 | Crippen Calculated Property | |
| McVol | 378.050 | ml/mol | McGowan Calculated Property |
| Pc | 919.39 | kPa | Joback Calculated Property |
| Inp | [3111.00; 3111.00] |
|
|
| Inp | 3111.00 | NIST | |
| Inp | 3111.00 | NIST | |
| Tboil | 1050.52 | K | Joback Calculated Property |
| Tc | 1287.63 | K | Joback Calculated Property |
| Tfus | 631.71 | K | Joback Calculated Property |
| Vc | 1.478 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1279.35; 1347.34] | J/mol×K | [1050.52; 1287.63] |
|
| Cp,gas | 1279.35 | J/mol×K | 1050.52 | Joback Calculated Property |
| Cp,gas | 1293.92 | J/mol×K | 1090.04 | Joback Calculated Property |
| Cp,gas | 1307.06 | J/mol×K | 1129.56 | Joback Calculated Property |
| Cp,gas | 1318.86 | J/mol×K | 1169.07 | Joback Calculated Property |
| Cp,gas | 1329.44 | J/mol×K | 1208.59 | Joback Calculated Property |
| Cp,gas | 1338.90 | J/mol×K | 1248.11 | Joback Calculated Property |
| Cp,gas | 1347.34 | J/mol×K | 1287.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, dodecyl 2-trifluoromethylbenzyl ester.
Sources
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