- InChI
- InChI=1S/C13H15ClO5/c1-3-18-12(15)7-17-8-13(16)19-11-5-4-10(14)6-9(11)2/h4-6H,3,7-8H2,1-2H3
- InChI Key
- CUJICHCDEOBLGE-UHFFFAOYSA-N
- Formula
- C13H15ClO5
- SMILES
- CCOC(=O)COCC(=O)Oc1ccc(Cl)cc1C
- Molecular Weight1
- 286.71
- 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 | 0.7624 | Relay (1.0) Calculated Property | |
| ΔfG° | -433.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.134 | Crippen Calculated Property | |
| McVol | 203.260 | ml/mol | McGowan Calculated Property |
| Pc | 2210.37 | kPa | Joback Calculated Property |
| Inp | [2458.00; 2458.00] |
|
|
| Inp | 2458.00 | NIST | |
| Inp | 2458.00 | NIST | |
| Tboil | 610.22 | K | Relay (1.0) Calculated Property |
| Tc | 807.21 | K | Relay (1.0) Calculated Property |
| Tfus | 308.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.743 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.41; 598.81] | J/mol×K | [745.91; 956.93] |
|
| Cp,gas | 537.41 | J/mol×K | 745.91 | Joback Calculated Property |
| Cp,gas | 549.91 | J/mol×K | 781.08 | Joback Calculated Property |
| Cp,gas | 561.51 | J/mol×K | 816.25 | Joback Calculated Property |
| Cp,gas | 572.22 | J/mol×K | 851.42 | Joback Calculated Property |
| Cp,gas | 582.02 | J/mol×K | 886.59 | Joback Calculated Property |
| Cp,gas | 590.88 | J/mol×K | 921.76 | Joback Calculated Property |
| Cp,gas | 598.81 | J/mol×K | 956.93 | Joback Calculated Property |
| η | [0.0000937; 0.0005717] | Pa×s | [484.20; 745.91] |
|
| η | 0.0005717 | Pa×s | 484.20 | Joback Calculated Property |
| η | 0.0003734 | Pa×s | 527.82 | Joback Calculated Property |
| η | 0.0002603 | Pa×s | 571.44 | Joback Calculated Property |
| η | 0.0001910 | Pa×s | 615.06 | Joback Calculated Property |
| η | 0.0001460 | Pa×s | 658.67 | Joback Calculated Property |
| η | 0.0001154 | Pa×s | 702.29 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 745.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl ethyl ester.
Sources
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