- InChI
- InChI=1S/C16H21ClO4/c1-12(2)10-20-15(18)4-3-5-16(19)21-11-13-6-8-14(17)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3
- InChI Key
- PKCXHPKHYFAFSP-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
CC(C)COC(=O)CCCC(=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° | -295.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.753 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | [2261.00; 2261.00] |
|
|
| Inp | 2261.00 | NIST | |
| Inp | 2261.00 | NIST | |
| Tboil | 786.71 | K | Joback Calculated Property |
| Tc | 995.09 | K | Joback Calculated Property |
| Tfus | 468.26 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.77; 745.84] | J/mol×K | [786.71; 995.09] |
|
| Cp,gas | 675.77 | J/mol×K | 786.71 | Joback Calculated Property |
| Cp,gas | 689.96 | J/mol×K | 821.44 | Joback Calculated Property |
| Cp,gas | 703.13 | J/mol×K | 856.17 | Joback Calculated Property |
| Cp,gas | 715.28 | J/mol×K | 890.90 | Joback Calculated Property |
| Cp,gas | 726.45 | J/mol×K | 925.63 | Joback Calculated Property |
| Cp,gas | 736.62 | J/mol×K | 960.36 | Joback Calculated Property |
| Cp,gas | 745.84 | J/mol×K | 995.09 | Joback Calculated Property |
| η | [0.0000761; 0.0008164] | Pa×s | [468.26; 786.71] |
|
| η | 0.0008164 | Pa×s | 468.26 | Joback Calculated Property |
| η | 0.0004495 | Pa×s | 521.34 | Joback Calculated Property |
| η | 0.0002763 | Pa×s | 574.41 | Joback Calculated Property |
| η | 0.0001845 | Pa×s | 627.48 | Joback Calculated Property |
| η | 0.0001311 | Pa×s | 680.56 | Joback Calculated Property |
| η | 0.0000980 | Pa×s | 733.63 | Joback Calculated Property |
| η | 0.0000761 | Pa×s | 786.71 | Joback Calculated Property |
Similar Compounds
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Sources
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