- InChI
- InChI=1S/C9H11ClO3/c1-3-7(2)13-9(12)6-4-5-8(10)11/h1,7H,4-6H2,2H3
- InChI Key
- SDRKDDWJROHQEO-UHFFFAOYSA-N
- Formula
- C9H11ClO3
- SMILES
- C#CC(C)OC(=O)CCCC(=O)Cl
- Molecular Weight1
- 202.63
- 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 | 0.4952 | Relay (1.0) Calculated Property | |
| ΔfG° | -129.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.487 | Crippen Calculated Property | |
| McVol | 150.320 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Inp | 1311.00 | NIST | |
| Tboil | 494.21 | K | Relay (1.0) Calculated Property |
| Tc | 678.12 | K | Relay (1.0) Calculated Property |
| Tfus | 305.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.58; 389.04] | J/mol×K | [562.59; 766.19] | 
|
| Cp,gas | 332.58 | J/mol×K | 562.59 | Joback Calculated Property |
| Cp,gas | 343.38 | J/mol×K | 596.52 | Joback Calculated Property |
| Cp,gas | 353.60 | J/mol×K | 630.46 | Joback Calculated Property |
| Cp,gas | 363.27 | J/mol×K | 664.39 | Joback Calculated Property |
| Cp,gas | 372.39 | J/mol×K | 698.33 | Joback Calculated Property |
| Cp,gas | 380.98 | J/mol×K | 732.26 | Joback Calculated Property |
| Cp,gas | 389.04 | J/mol×K | 766.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monochloride, but-3-yn-2-yl ester.
Sources
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