- InChI
- InChI=1S/C9H13ClO4/c1-6(11)7(2)14-9(13)5-3-4-8(10)12/h7H,3-5H2,1-2H3
- InChI Key
- VZGGHTAJHHLUOG-UHFFFAOYSA-N
- Formula
- C9H13ClO4
- SMILES
- CC(=O)C(C)OC(=O)CCCC(=O)Cl
- Molecular Weight1
- 220.65
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6129 | Relay (1.0) Calculated Property | |
| ΔfG° | -481.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.443 | Crippen Calculated Property | |
| McVol | 160.490 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | [1513.00; 1513.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Tboil | 508.37 | K | Relay (1.0) Calculated Property |
| Tc | 697.09 | K | Relay (1.0) Calculated Property |
| Tfus | 304.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.576 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.26; 444.32] | J/mol×K | [626.34; 824.94] |
|
| Cp,gas | 386.26 | J/mol×K | 626.34 | Joback Calculated Property |
| Cp,gas | 397.44 | J/mol×K | 659.44 | Joback Calculated Property |
| Cp,gas | 408.02 | J/mol×K | 692.54 | Joback Calculated Property |
| Cp,gas | 417.98 | J/mol×K | 725.64 | Joback Calculated Property |
| Cp,gas | 427.35 | J/mol×K | 758.74 | Joback Calculated Property |
| Cp,gas | 436.13 | J/mol×K | 791.84 | Joback Calculated Property |
| Cp,gas | 444.32 | J/mol×K | 824.94 | Joback Calculated Property |
| η | [0.0002372; 0.0024489] | Pa×s | [378.13; 626.34] |
|
| η | 0.0024489 | Pa×s | 378.13 | Joback Calculated Property |
| η | 0.0013698 | Pa×s | 419.50 | Joback Calculated Property |
| η | 0.0008505 | Pa×s | 460.87 | Joback Calculated Property |
| η | 0.0005711 | Pa×s | 502.24 | Joback Calculated Property |
| η | 0.0004075 | Pa×s | 543.60 | Joback Calculated Property |
| η | 0.0003050 | Pa×s | 584.97 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 626.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monochloride, 3-oxobut-2-yl ester.
Sources
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