- InChI
- InChI=1S/C16H21ClO4/c1-11(2)12(3)21-16(19)9-8-15(18)20-10-13-4-6-14(17)7-5-13/h4-7,11-12H,8-10H2,1-3H3
- InChI Key
- SIQKSKIHIRLLNF-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
CC(C)C(C)OC(=O)CCC(=O)OCc1ccc(
Cl)cc1 - Molecular Weight1
- 312.79
- 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° | -298.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.07 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 3.751 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1784.86 | kPa | Joback Calculated Property |
| Inp | [2176.00; 2176.00] |
|
|
| Inp | 2176.00 | NIST | |
| Inp | 2176.00 | NIST | |
| Tboil | 786.27 | K | Joback Calculated Property |
| Tc | 997.58 | K | Joback Calculated Property |
| Tfus | 453.26 | K | Joback Calculated Property |
| Vc | 0.908 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.33; 747.01] | J/mol×K | [786.27; 997.58] |
|
| Cp,gas | 676.33 | J/mol×K | 786.27 | Joback Calculated Property |
| Cp,gas | 690.72 | J/mol×K | 821.49 | Joback Calculated Property |
| Cp,gas | 704.05 | J/mol×K | 856.71 | Joback Calculated Property |
| Cp,gas | 716.33 | J/mol×K | 891.92 | Joback Calculated Property |
| Cp,gas | 727.57 | J/mol×K | 927.14 | Joback Calculated Property |
| Cp,gas | 737.79 | J/mol×K | 962.36 | Joback Calculated Property |
| Cp,gas | 747.01 | J/mol×K | 997.58 | Joback Calculated Property |
| η | [0.0000700; 0.0009423] | Pa×s | [453.26; 786.27] |
|
| η | 0.0009423 | Pa×s | 453.26 | Joback Calculated Property |
| η | 0.0004823 | Pa×s | 508.76 | Joback Calculated Property |
| η | 0.0002816 | Pa×s | 564.26 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 619.76 | Joback Calculated Property |
| η | 0.0001252 | Pa×s | 675.27 | Joback Calculated Property |
| η | 0.0000916 | Pa×s | 730.77 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 786.27 | Joback Calculated Property |
Similar Compounds
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Sources
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