- InChI
- InChI=1S/C17H23ClO5/c1-2-3-4-5-6-10-22-16(19)12-21-13-17(20)23-15-9-7-8-14(18)11-15/h7-9,11H,2-6,10,12-13H2,1H3
- InChI Key
- GFCJYHYAKDGUAA-UHFFFAOYSA-N
- Formula
- C17H23ClO5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)Oc1cccc(C
l)c1 - Molecular Weight1
- 342.81
- 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 | 0.9432 | Relay (... Calculated Property | |
| ΔfG° | -389.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.04 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -4.86 | Relay (... Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 259.620 | ml/mol | McGowan Calculated Property |
| Pc | 1605.13 | kPa | Joback Calculated Property |
| Inp | [2986.00; 2986.00] |
|
|
| Inp | 2986.00 | NIST | |
| Inp | 2986.00 | NIST | |
| Tboil | 642.35 | K | Relay (... Calculated Property |
| Tc | 840.92 | K | Relay (... Calculated Property |
| Tfus | 297.69 | K | Relay (... Calculated Property |
| Vc | 0.957 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.04; 825.85] | J/mol×K | [832.45; 1037.10] |
|
| Cp,gas | 759.04 | J/mol×K | 832.45 | Joback Calculated Property |
| Cp,gas | 772.88 | J/mol×K | 866.56 | Joback Calculated Property |
| Cp,gas | 785.64 | J/mol×K | 900.67 | Joback Calculated Property |
| Cp,gas | 797.31 | J/mol×K | 934.78 | Joback Calculated Property |
| Cp,gas | 807.90 | J/mol×K | 968.88 | Joback Calculated Property |
| Cp,gas | 817.41 | J/mol×K | 1002.99 | Joback Calculated Property |
| Cp,gas | 825.85 | J/mol×K | 1037.10 | Joback Calculated Property |
| η | [0.0000543; 0.0004644] | Pa×s | [516.76; 832.45] |
|
| η | 0.0004644 | Pa×s | 516.76 | Joback Calculated Property |
| η | 0.0002753 | Pa×s | 569.38 | Joback Calculated Property |
| η | 0.0001783 | Pa×s | 621.99 | Joback Calculated Property |
| η | 0.0001236 | Pa×s | 674.61 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 727.22 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 779.83 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 832.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-chlorophenyl heptyl ester.
Sources
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