- InChI
- InChI=1S/C33H47FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-37-32(35)29-22-17-18-23-30(29)33(36)38-27-25-28-21-16-19-24-31(28)34/h16-19,21-24H,2-15,20,25-27H2,1H3
- InChI Key
- XHAZLPMDZAMXFL-UHFFFAOYSA-N
- Formula
- C33H47FO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccccc
1C(=O)OCCc1ccccc1F - Molecular Weight1
- 526.72
- 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° | -230.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 77.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.42 | kJ/mol | Joback Calculated Property |
| log10WS | -11.02 | Crippen Calculated Property | |
| logPoct/wat | 9.253 | Crippen Calculated Property | |
| McVol | 444.960 | ml/mol | McGowan Calculated Property |
| Pc | 727.70 | kPa | Joback Calculated Property |
| Inp | 3776.00 | NIST | |
| Tboil | 1169.61 | K | Joback Calculated Property |
| Tc | 1455.62 | K | Joback Calculated Property |
| Tfus | 684.46 | K | Joback Calculated Property |
| Vc | 1.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1577.62; 1640.44] | J/mol×K | [1169.61; 1455.62] | 
|
| Cp,gas | 1577.62 | J/mol×K | 1169.61 | Joback Calculated Property |
| Cp,gas | 1593.26 | J/mol×K | 1217.28 | Joback Calculated Property |
| Cp,gas | 1606.61 | J/mol×K | 1264.95 | Joback Calculated Property |
| Cp,gas | 1617.83 | J/mol×K | 1312.62 | Joback Calculated Property |
| Cp,gas | 1627.10 | J/mol×K | 1360.28 | Joback Calculated Property |
| Cp,gas | 1634.58 | J/mol×K | 1407.95 | Joback Calculated Property |
| Cp,gas | 1640.44 | J/mol×K | 1455.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(2-fluorophenyl)ethyl heptadecyl ester.
Sources
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