- InChI
- InChI=1S/C17H23ClO5/c1-12(2)5-4-8-22-16(19)10-21-11-17(20)23-15-7-6-14(18)9-13(15)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3
- InChI Key
- YFUGMMPEEARKTC-UHFFFAOYSA-N
- Formula
- C17H23ClO5
- SMILES
-
Cc1cc(Cl)ccc1OC(=O)COCC(=O)OCC
CC(C)C - Molecular Weight1
- 342.81
- 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° | -401.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -823.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.550 | Crippen Calculated Property | |
| McVol | 259.620 | ml/mol | McGowan Calculated Property |
| Pc | 1596.17 | kPa | Joback Calculated Property |
| Inp | [2906.00; 2906.00] |
|
|
| Inp | 2906.00 | NIST | |
| Inp | 2906.00 | NIST | |
| Tboil | 836.99 | K | Joback Calculated Property |
| Tc | 1044.66 | K | Joback Calculated Property |
| Tfus | 514.28 | K | Joback Calculated Property |
| Vc | 0.989 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [758.57; 824.96] | J/mol×K | [836.99; 1044.66] |
|
| Cp,gas | 758.57 | J/mol×K | 836.99 | Joback Calculated Property |
| Cp,gas | 772.45 | J/mol×K | 871.60 | Joback Calculated Property |
| Cp,gas | 785.21 | J/mol×K | 906.21 | Joback Calculated Property |
| Cp,gas | 796.85 | J/mol×K | 940.83 | Joback Calculated Property |
| Cp,gas | 807.35 | J/mol×K | 975.44 | Joback Calculated Property |
| Cp,gas | 816.72 | J/mol×K | 1010.05 | Joback Calculated Property |
| Cp,gas | 824.96 | J/mol×K | 1044.66 | Joback Calculated Property |
| η | [0.0000504; 0.0004467] | Pa×s | [514.28; 836.99] |
|
| η | 0.0004467 | Pa×s | 514.28 | Joback Calculated Property |
| η | 0.0002614 | Pa×s | 568.06 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 621.85 | Joback Calculated Property |
| η | 0.0001156 | Pa×s | 675.63 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 729.42 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 783.20 | Joback Calculated Property |
| η | 0.0000504 | Pa×s | 836.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl isohexyl ester.
Sources
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