- InChI
- InChI=1S/C22H28ClFO4/c1-2-3-4-5-6-7-8-9-10-11-17-27-20(25)15-16-21(26)28-22-18(23)13-12-14-19(22)24/h12-14H,2,5-11,15-17H2,1H3
- InChI Key
- MJWPPLIARDXYFO-UHFFFAOYSA-N
- Formula
- C22H28ClFO4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCC(=O)Oc1c
(F)cccc1Cl - Molecular Weight1
- 410.91
- 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 | 0.9740 | Relay (1.0) Calculated Property | |
| ΔfG° | -244.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.852 | Crippen Calculated Property | |
| McVol | 317.370 | ml/mol | McGowan Calculated Property |
| Pc | 1223.41 | kPa | Joback Calculated Property |
| Inp | 2891.00 | NIST | |
| Tboil | 632.33 | K | Relay (1.0) Calculated Property |
| Tc | 881.15 | K | Relay (1.0) Calculated Property |
| Tfus | 324.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.151 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [975.40; 1041.31] | J/mol×K | [937.68; 1152.70] | 
|
| Cp,gas | 975.40 | J/mol×K | 937.68 | Joback Calculated Property |
| Cp,gas | 989.42 | J/mol×K | 973.52 | Joback Calculated Property |
| Cp,gas | 1002.20 | J/mol×K | 1009.35 | Joback Calculated Property |
| Cp,gas | 1013.74 | J/mol×K | 1045.19 | Joback Calculated Property |
| Cp,gas | 1024.10 | J/mol×K | 1081.03 | Joback Calculated Property |
| Cp,gas | 1033.28 | J/mol×K | 1116.86 | Joback Calculated Property |
| Cp,gas | 1041.31 | J/mol×K | 1152.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl dodec-9-yn-1-yl ester.
Sources
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