- InChI
- InChI=1S/C17H23FO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-9-7-8-13(18)10-14/h7-10,12H,5-6,11H2,1-4H3
- InChI Key
- BTPJXFROOBGCLD-UHFFFAOYSA-N
- Formula
- C17H23FO4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
ccc(F)c1 - Molecular Weight1
- 310.36
- 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° | -467.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.737 | Crippen Calculated Property | |
| McVol | 243.280 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | 1820.00 | NIST | |
| Tboil | 768.20 | K | Joback Calculated Property |
| Tc | 972.60 | K | Joback Calculated Property |
| Tfus | 452.62 | K | Joback Calculated Property |
| Vc | 0.928 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.41; 791.23] | J/mol×K | [768.20; 972.60] | 
|
| Cp,gas | 714.41 | J/mol×K | 768.20 | Joback Calculated Property |
| Cp,gas | 729.75 | J/mol×K | 802.27 | Joback Calculated Property |
| Cp,gas | 744.04 | J/mol×K | 836.33 | Joback Calculated Property |
| Cp,gas | 757.30 | J/mol×K | 870.40 | Joback Calculated Property |
| Cp,gas | 769.56 | J/mol×K | 904.46 | Joback Calculated Property |
| Cp,gas | 780.86 | J/mol×K | 938.53 | Joback Calculated Property |
| Cp,gas | 791.23 | J/mol×K | 972.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-fluorophenyl isobutyl ester.
Sources
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