- InChI
- InChI=1S/C17H27ClO4/c1-3-15(2)22-17(20)12-10-11-16(19)21-14-9-7-5-4-6-8-13-18/h1,15H,4-14H2,2H3
- InChI Key
- JWRZEMBOPTYJLN-UHFFFAOYSA-N
- Formula
- C17H27ClO4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OCCCCCCCC
Cl - Molecular Weight1
- 330.85
- 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 | 0.8572 | Relay (... Calculated Property | |
| ΔfG° | -166.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -796.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.08 | kJ/mol | Relay (... Calculated Property |
| IE | 9.84 | eV | Relay (... Calculated Property |
| log10WS | -4.43 | Relay (... Calculated Property | |
| logPoct/wat | 3.844 | Crippen Calculated Property | |
| McVol | 268.910 | ml/mol | McGowan Calculated Property |
| Pc | 1435.89 | kPa | Joback Calculated Property |
| Inp | [2268.00; 2268.00] |
|
|
| Inp | 2268.00 | NIST | |
| Inp | 2268.00 | NIST | |
| Tboil | 606.34 | K | Relay (... Calculated Property |
| Tc | 793.20 | K | Relay (... Calculated Property |
| Tfus | 311.97 | K | Relay (... Calculated Property |
| Vc | 0.975 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.93; 848.74] | J/mol×K | [768.05; 956.98] |
|
| Cp,gas | 769.93 | J/mol×K | 768.05 | Joback Calculated Property |
| Cp,gas | 785.22 | J/mol×K | 799.54 | Joback Calculated Property |
| Cp,gas | 799.62 | J/mol×K | 831.03 | Joback Calculated Property |
| Cp,gas | 813.15 | J/mol×K | 862.52 | Joback Calculated Property |
| Cp,gas | 825.84 | J/mol×K | 894.01 | Joback Calculated Property |
| Cp,gas | 837.70 | J/mol×K | 925.49 | Joback Calculated Property |
| Cp,gas | 848.74 | J/mol×K | 956.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl 8-chlorooctyl ester.
Sources
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