- InChI
- InChI=1S/C18H17FO4/c1-2-3-10-22-17(20)13-6-4-7-14(11-13)18(21)23-16-9-5-8-15(19)12-16/h4-9,11-12H,2-3,10H2,1H3
- InChI Key
- WTDMMQPLDOYDEQ-UHFFFAOYSA-N
- Formula
- C18H17FO4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2cccc(
F)c2)c1 - Molecular Weight1
- 316.32
- 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° | -356.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.39 | Crippen Calculated Property | |
| logPoct/wat | 4.002 | Crippen Calculated Property | |
| McVol | 233.610 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | [2425.00; 2425.00] |
|
|
| Inp | 2425.00 | NIST | |
| Inp | 2425.00 | NIST | |
| Tboil | 826.41 | K | Joback Calculated Property |
| Tc | 1048.06 | K | Joback Calculated Property |
| Tfus | 515.41 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.47; 737.16] | J/mol×K | [826.41; 1048.06] |
|
| Cp,gas | 674.47 | J/mol×K | 826.41 | Joback Calculated Property |
| Cp,gas | 687.76 | J/mol×K | 863.35 | Joback Calculated Property |
| Cp,gas | 699.87 | J/mol×K | 900.29 | Joback Calculated Property |
| Cp,gas | 710.85 | J/mol×K | 937.23 | Joback Calculated Property |
| Cp,gas | 720.70 | J/mol×K | 974.18 | Joback Calculated Property |
| Cp,gas | 729.47 | J/mol×K | 1011.12 | Joback Calculated Property |
| Cp,gas | 737.16 | J/mol×K | 1048.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 3-fluorophenyl ester.
Sources
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