- InChI
- InChI=1S/C30H41FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-34-29(32)27-21-15-16-22-28(27)30(33)35-26-20-18-19-25(31)24-26/h15-16,18-22,24H,2-14,17,23H2,1H3
- InChI Key
- WAPFMLKVJPGTED-UHFFFAOYSA-N
- Formula
- C30H41FO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccccc1
C(=O)Oc1cccc(F)c1 - Molecular Weight1
- 484.64
- 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 | 1.3241 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1005.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.683 | Crippen Calculated Property | |
| McVol | 402.690 | ml/mol | McGowan Calculated Property |
| Pc | 855.46 | kPa | Joback Calculated Property |
| Inp | [3468.00; 3468.00] |
|
|
| Inp | 3468.00 | NIST | |
| Inp | 3468.00 | NIST | |
| Tboil | 721.70 | K | Relay (1.0) Calculated Property |
| Tc | 958.68 | K | Relay (1.0) Calculated Property |
| Tfus | 312.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1389.85; 1453.34] | J/mol×K | [1100.97; 1353.59] |
|
| Cp,gas | 1389.85 | J/mol×K | 1100.97 | Joback Calculated Property |
| Cp,gas | 1404.73 | J/mol×K | 1143.07 | Joback Calculated Property |
| Cp,gas | 1417.75 | J/mol×K | 1185.18 | Joback Calculated Property |
| Cp,gas | 1429.02 | J/mol×K | 1227.28 | Joback Calculated Property |
| Cp,gas | 1438.64 | J/mol×K | 1269.38 | Joback Calculated Property |
| Cp,gas | 1446.72 | J/mol×K | 1311.48 | Joback Calculated Property |
| Cp,gas | 1453.34 | J/mol×K | 1353.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3-fluorophenyl hexadecyl ester.
Sources
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