- InChI
- InChI=1S/C19H31ClO4/c1-3-17(2)24-19(22)14-12-13-18(21)23-16-11-9-7-5-4-6-8-10-15-20/h1,17H,4-16H2,2H3
- InChI Key
- XLATXYDPCOMELU-UHFFFAOYSA-N
- Formula
- C19H31ClO4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OCCCCCCCC
CCCl - Molecular Weight1
- 358.90
- 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 | 0.9300 | Relay (... Calculated Property | |
| ΔfG° | -150.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -837.44 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.91 | kJ/mol | Relay (... Calculated Property |
| IE | 9.85 | eV | Relay (... Calculated Property |
| log10WS | -5.15 | Relay (... Calculated Property | |
| logPoct/wat | 4.624 | Crippen Calculated Property | |
| McVol | 297.090 | ml/mol | McGowan Calculated Property |
| Pc | 1247.73 | kPa | Joback Calculated Property |
| Inp | [2471.00; 2471.00] |
|
|
| Inp | 2471.00 | NIST | |
| Inp | 2471.00 | NIST | |
| Tboil | 623.71 | K | Relay (... Calculated Property |
| Tc | 811.25 | K | Relay (... Calculated Property |
| Tfus | 319.53 | K | Relay (... Calculated Property |
| Vc | 1.084 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.43; 967.28] | J/mol×K | [813.81; 1004.50] |
|
| Cp,gas | 885.43 | J/mol×K | 813.81 | Joback Calculated Property |
| Cp,gas | 901.42 | J/mol×K | 845.59 | Joback Calculated Property |
| Cp,gas | 916.45 | J/mol×K | 877.37 | Joback Calculated Property |
| Cp,gas | 930.52 | J/mol×K | 909.16 | Joback Calculated Property |
| Cp,gas | 943.67 | J/mol×K | 940.94 | Joback Calculated Property |
| Cp,gas | 955.92 | J/mol×K | 972.72 | Joback Calculated Property |
| Cp,gas | 967.28 | J/mol×K | 1004.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl 10-chlorodecyl ester.
Sources
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