- InChI
- InChI=1S/C17H18Cl2O4/c1-3-7-12(4-2)22-15(20)10-6-11-16(21)23-17-13(18)8-5-9-14(17)19/h5,8-9,12H,4,6,10-11H2,1-2H3
- InChI Key
- CZQARZBAUNBDFU-UHFFFAOYSA-N
- Formula
- C17H18Cl2O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1c(Cl
)cccc1Cl - Molecular Weight1
- 357.23
- 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 | 0.7564 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.414 | Crippen Calculated Property | |
| McVol | 257.390 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | [2428.00; 2428.00] |
|
|
| Inp | 2428.00 | NIST | |
| Inp | 2428.00 | NIST | |
| Tboil | 603.77 | K | Relay (1.0) Calculated Property |
| Tc | 861.59 | K | Relay (1.0) Calculated Property |
| Tfus | 348.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [702.74; 760.45] | J/mol×K | [861.00; 1088.30] |
|
| Cp,gas | 702.74 | J/mol×K | 861.00 | Joback Calculated Property |
| Cp,gas | 715.15 | J/mol×K | 898.88 | Joback Calculated Property |
| Cp,gas | 726.43 | J/mol×K | 936.77 | Joback Calculated Property |
| Cp,gas | 736.59 | J/mol×K | 974.65 | Joback Calculated Property |
| Cp,gas | 745.64 | J/mol×K | 1012.53 | Joback Calculated Property |
| Cp,gas | 753.58 | J/mol×K | 1050.42 | Joback Calculated Property |
| Cp,gas | 760.45 | J/mol×K | 1088.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2,6-dichlorophenyl ester.
Sources
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