- InChI
- InChI=1S/C17H15FO4/c1-2-9-21-16(19)12-5-3-6-13(10-12)17(20)22-15-8-4-7-14(18)11-15/h3-8,10-11H,2,9H2,1H3
- InChI Key
- BVRYVMKHPZFPCK-UHFFFAOYSA-N
- Formula
- C17H15FO4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2cccc(F
)c2)c1 - Molecular Weight1
- 302.30
- 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° | -364.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 3.612 | Crippen Calculated Property | |
| McVol | 219.520 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 803.53 | K | Joback Calculated Property |
| Tc | 1027.80 | K | Joback Calculated Property |
| Tfus | 504.14 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.17; 680.88] | J/mol×K | [803.53; 1027.80] |
|
| Cp,gas | 619.17 | J/mol×K | 803.53 | Joback Calculated Property |
| Cp,gas | 632.24 | J/mol×K | 840.91 | Joback Calculated Property |
| Cp,gas | 644.17 | J/mol×K | 878.29 | Joback Calculated Property |
| Cp,gas | 654.97 | J/mol×K | 915.66 | Joback Calculated Property |
| Cp,gas | 664.68 | J/mol×K | 953.04 | Joback Calculated Property |
| Cp,gas | 673.31 | J/mol×K | 990.42 | Joback Calculated Property |
| Cp,gas | 680.88 | J/mol×K | 1027.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-fluorophenyl propyl ester.
Sources
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