- InChI
- InChI=1S/C20H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-19(23)14-13-15-20(24)26-17-18(21)22/h18H,2-10,13-17H2,1H3
- InChI Key
- JUMAKTXMLFVCGA-UHFFFAOYSA-N
- Formula
- C20H32Cl2O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC
C(Cl)Cl - Molecular Weight1
- 407.37
- 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 | 0.9723 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.581 | Crippen Calculated Property | |
| McVol | 323.420 | ml/mol | McGowan Calculated Property |
| Pc | 1147.54 | kPa | Joback Calculated Property |
| Inp | [2727.00; 2727.00] |
|
|
| Inp | 2727.00 | NIST | |
| Inp | 2727.00 | NIST | |
| Tboil | 636.97 | K | Relay (1.0) Calculated Property |
| Tc | 838.35 | K | Relay (1.0) Calculated Property |
| Tfus | 303.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.178 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.64; 1053.18] | J/mol×K | [893.00; 1097.03] |
|
| Cp,gas | 977.64 | J/mol×K | 893.00 | Joback Calculated Property |
| Cp,gas | 992.99 | J/mol×K | 927.00 | Joback Calculated Property |
| Cp,gas | 1007.21 | J/mol×K | 961.01 | Joback Calculated Property |
| Cp,gas | 1020.31 | J/mol×K | 995.01 | Joback Calculated Property |
| Cp,gas | 1032.33 | J/mol×K | 1029.02 | Joback Calculated Property |
| Cp,gas | 1043.28 | J/mol×K | 1063.02 | Joback Calculated Property |
| Cp,gas | 1053.18 | J/mol×K | 1097.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,2-dichloroethyl ester.
Sources
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