- InChI
- InChI=1S/C16H18ClFO4/c1-2-3-4-11-21-14(19)9-6-10-15(20)22-16-12(17)7-5-8-13(16)18/h3-5,7-8H,2,6,9-11H2,1H3/b4-3+
- InChI Key
- ATGPHVMBHHULIY-ONEGZZNKSA-N
- Formula
- C16H18ClFO4
- SMILES
-
CCC=CCOC(=O)CCCC(=O)Oc1c(F)ccc
c1Cl - Molecular Weight1
- 328.76
- 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° | -417.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.65 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 4.064 | Crippen Calculated Property | |
| McVol | 237.130 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | [2205.00; 2205.00] |
|
|
| Inp | 2205.00 | NIST | |
| Inp | 2205.00 | NIST | |
| Tboil | 795.56 | K | Joback Calculated Property |
| Tc | 1001.35 | K | Joback Calculated Property |
| Tfus | 491.29 | K | Joback Calculated Property |
| Vc | 0.918 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.06; 720.30] | J/mol×K | [795.56; 1001.35] |
|
| Cp,gas | 656.06 | J/mol×K | 795.56 | Joback Calculated Property |
| Cp,gas | 668.95 | J/mol×K | 829.86 | Joback Calculated Property |
| Cp,gas | 680.93 | J/mol×K | 864.16 | Joback Calculated Property |
| Cp,gas | 692.04 | J/mol×K | 898.46 | Joback Calculated Property |
| Cp,gas | 702.29 | J/mol×K | 932.75 | Joback Calculated Property |
| Cp,gas | 711.70 | J/mol×K | 967.05 | Joback Calculated Property |
| Cp,gas | 720.30 | J/mol×K | 1001.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, pent-2-en-1-yl 2-chloro-6-fluorophenyl ester.
Sources
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