- InChI
- InChI=1S/C18H25ClO5/c1-3-4-5-6-7-10-23-17(20)12-22-13-18(21)24-16-9-8-15(19)11-14(16)2/h8-9,11H,3-7,10,12-13H2,1-2H3
- InChI Key
- FENJXVXJIMOQQT-UHFFFAOYSA-N
- Formula
- C18H25ClO5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)Oc1ccc(Cl
)cc1C - Molecular Weight1
- 356.84
- 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° | -390.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.66 | Crippen Calculated Property | |
| logPoct/wat | 4.084 | Crippen Calculated Property | |
| McVol | 273.710 | ml/mol | McGowan Calculated Property |
| Pc | 1471.36 | kPa | Joback Calculated Property |
| Inp | [3083.00; 3083.00] |
|
|
| Inp | 3083.00 | NIST | |
| Inp | 3083.00 | NIST | |
| Tboil | 860.31 | K | Joback Calculated Property |
| Tc | 1065.97 | K | Joback Calculated Property |
| Tfus | 540.55 | K | Joback Calculated Property |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [815.46; 882.04] | J/mol×K | [860.31; 1065.97] |
|
| Cp,gas | 815.46 | J/mol×K | 860.31 | Joback Calculated Property |
| Cp,gas | 829.42 | J/mol×K | 894.59 | Joback Calculated Property |
| Cp,gas | 842.23 | J/mol×K | 928.86 | Joback Calculated Property |
| Cp,gas | 853.90 | J/mol×K | 963.14 | Joback Calculated Property |
| Cp,gas | 864.42 | J/mol×K | 997.42 | Joback Calculated Property |
| Cp,gas | 873.80 | J/mol×K | 1031.70 | Joback Calculated Property |
| Cp,gas | 882.04 | J/mol×K | 1065.97 | Joback Calculated Property |
| η | [0.0000478; 0.0003673] | Pa×s | [540.55; 860.31] |
|
| η | 0.0003673 | Pa×s | 540.55 | Joback Calculated Property |
| η | 0.0002245 | Pa×s | 593.84 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 647.14 | Joback Calculated Property |
| η | 0.0001050 | Pa×s | 700.43 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 753.72 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 807.02 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 860.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl heptyl ester.
Sources
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