- InChI
- InChI=1S/C17H19ClO4/c1-3-7-14(4-2)21-16(19)10-6-11-17(20)22-15-9-5-8-13(18)12-15/h5,8-9,12,14H,4,6,10-11H2,1-2H3
- InChI Key
- CGYSEEPURQNZRH-UHFFFAOYSA-N
- Formula
- C17H19ClO4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc
(Cl)c1 - Molecular Weight1
- 322.78
- 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 | 0.7337 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.761 | Crippen Calculated Property | |
| McVol | 245.150 | ml/mol | McGowan Calculated Property |
| Pc | 1872.41 | kPa | Joback Calculated Property |
| Inp | [2290.00; 2290.00] |
|
|
| Inp | 2290.00 | NIST | |
| Inp | 2290.00 | NIST | |
| Tboil | 620.20 | K | Relay (1.0) Calculated Property |
| Tc | 836.81 | K | Relay (1.0) Calculated Property |
| Tfus | 321.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.858 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [680.91; 747.00] | J/mol×K | [818.59; 1042.06] |
|
| Cp,gas | 680.91 | J/mol×K | 818.59 | Joback Calculated Property |
| Cp,gas | 694.68 | J/mol×K | 855.84 | Joback Calculated Property |
| Cp,gas | 707.33 | J/mol×K | 893.08 | Joback Calculated Property |
| Cp,gas | 718.87 | J/mol×K | 930.33 | Joback Calculated Property |
| Cp,gas | 729.31 | J/mol×K | 967.57 | Joback Calculated Property |
| Cp,gas | 738.69 | J/mol×K | 1004.82 | Joback Calculated Property |
| Cp,gas | 747.00 | J/mol×K | 1042.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 3-chlorophenyl ester.
Sources
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