- InChI
- InChI=1S/C12H13ClO4/c1-16-9-5-2-3-6-10(9)17-12(15)8-4-7-11(13)14/h2-3,5-6H,4,7-8H2,1H3
- InChI Key
- NWXUPWYZJYXFIQ-UHFFFAOYSA-N
- Formula
- C12H13ClO4
- SMILES
- COc1ccccc1OC(=O)CCCC(=O)Cl
- Molecular Weight1
- 256.68
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -326.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.536 | Crippen Calculated Property | |
| McVol | 183.300 | ml/mol | McGowan Calculated Property |
| Pc | 2502.50 | kPa | Joback Calculated Property |
| Inp | 1922.00 | NIST | |
| Tboil | 695.63 | K | Joback Calculated Property |
| Tc | 910.73 | K | Joback Calculated Property |
| Tfus | 438.18 | K | Joback Calculated Property |
| Vc | 0.697 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.40; 523.19] | J/mol×K | [695.63; 910.73] | 
|
| Cp,gas | 461.40 | J/mol×K | 695.63 | Joback Calculated Property |
| Cp,gas | 473.77 | J/mol×K | 731.48 | Joback Calculated Property |
| Cp,gas | 485.31 | J/mol×K | 767.33 | Joback Calculated Property |
| Cp,gas | 496.02 | J/mol×K | 803.18 | Joback Calculated Property |
| Cp,gas | 505.89 | J/mol×K | 839.03 | Joback Calculated Property |
| Cp,gas | 514.95 | J/mol×K | 874.88 | Joback Calculated Property |
| Cp,gas | 523.19 | J/mol×K | 910.73 | Joback Calculated Property |
| η | [0.0001377; 0.0009861] | Pa×s | [438.18; 695.63] |
|
| η | 0.0009861 | Pa×s | 438.18 | Joback Calculated Property |
| η | 0.0006136 | Pa×s | 481.09 | Joback Calculated Property |
| η | 0.0004127 | Pa×s | 524.00 | Joback Calculated Property |
| η | 0.0002947 | Pa×s | 566.90 | Joback Calculated Property |
| η | 0.0002207 | Pa×s | 609.81 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 652.72 | Joback Calculated Property |
| η | 0.0001377 | Pa×s | 695.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monochloride, 2-methoxyphenyl ester.
Sources
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