- InChI
- InChI=1S/C14H17ClO5/c1-2-3-7-19-13(16)9-18-10-14(17)20-12-6-4-5-11(15)8-12/h4-6,8H,2-3,7,9-10H2,1H3
- InChI Key
- XNCYSPBKPSBEBZ-UHFFFAOYSA-N
- Formula
- C14H17ClO5
- SMILES
-
CCCCOC(=O)COCC(=O)Oc1cccc(Cl)c
1 - Molecular Weight1
- 300.74
- 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° | -414.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.605 | Crippen Calculated Property | |
| McVol | 217.350 | ml/mol | McGowan Calculated Property |
| Pc | 2051.17 | kPa | Joback Calculated Property |
| Inp | [2601.00; 2601.00] |
|
|
| Inp | 2601.00 | NIST | |
| Inp | 2601.00 | NIST | |
| Tboil | 763.81 | K | Joback Calculated Property |
| Tc | 971.80 | K | Joback Calculated Property |
| Tfus | 482.95 | K | Joback Calculated Property |
| Vc | 0.827 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.22; 655.88] | J/mol×K | [763.81; 971.80] |
|
| Cp,gas | 592.22 | J/mol×K | 763.81 | Joback Calculated Property |
| Cp,gas | 605.21 | J/mol×K | 798.48 | Joback Calculated Property |
| Cp,gas | 617.25 | J/mol×K | 833.14 | Joback Calculated Property |
| Cp,gas | 628.35 | J/mol×K | 867.81 | Joback Calculated Property |
| Cp,gas | 638.48 | J/mol×K | 902.47 | Joback Calculated Property |
| Cp,gas | 647.66 | J/mol×K | 937.14 | Joback Calculated Property |
| Cp,gas | 655.88 | J/mol×K | 971.80 | Joback Calculated Property |
| η | [0.0000820; 0.0006127] | Pa×s | [482.95; 763.81] |
|
| η | 0.0006127 | Pa×s | 482.95 | Joback Calculated Property |
| η | 0.0003779 | Pa×s | 529.76 | Joback Calculated Property |
| η | 0.0002521 | Pa×s | 576.57 | Joback Calculated Property |
| η | 0.0001788 | Pa×s | 623.38 | Joback Calculated Property |
| η | 0.0001330 | Pa×s | 670.19 | Joback Calculated Property |
| η | 0.0001028 | Pa×s | 717.00 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 763.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 3-chlorophenyl ester.
Sources
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