- InChI
- InChI=1S/C12H21ClO3/c1-9(12(2,3)4)16-11(15)8-6-5-7-10(13)14/h9H,5-8H2,1-4H3
- InChI Key
- HYCAONTXXYAGCB-UHFFFAOYSA-N
- Formula
- C12H21ClO3
- SMILES
- CC(OC(=O)CCCCC(=O)Cl)C(C)(C)C
- Molecular Weight1
- 248.75
- 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° | -324.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 3.290 | Crippen Calculated Property | |
| McVol | 201.190 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | 1557.00 | NIST | |
| Tboil | 637.88 | K | Joback Calculated Property |
| Tc | 832.11 | K | Joback Calculated Property |
| Tfus | 364.43 | K | Joback Calculated Property |
| Vc | 0.769 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.95; 598.91] | J/mol×K | [637.88; 832.11] | 
|
| Cp,gas | 521.95 | J/mol×K | 637.88 | Joback Calculated Property |
| Cp,gas | 536.76 | J/mol×K | 670.25 | Joback Calculated Property |
| Cp,gas | 550.74 | J/mol×K | 702.62 | Joback Calculated Property |
| Cp,gas | 563.92 | J/mol×K | 734.99 | Joback Calculated Property |
| Cp,gas | 576.32 | J/mol×K | 767.36 | Joback Calculated Property |
| Cp,gas | 587.97 | J/mol×K | 799.73 | Joback Calculated Property |
| Cp,gas | 598.91 | J/mol×K | 832.11 | Joback Calculated Property |
| η | [0.0001452; 0.0027638] | Pa×s | [364.43; 637.88] |
|
| η | 0.0027638 | Pa×s | 364.43 | Joback Calculated Property |
| η | 0.0012875 | Pa×s | 410.00 | Joback Calculated Property |
| η | 0.0006988 | Pa×s | 455.58 | Joback Calculated Property |
| η | 0.0004239 | Pa×s | 501.15 | Joback Calculated Property |
| η | 0.0002795 | Pa×s | 546.73 | Joback Calculated Property |
| η | 0.0001964 | Pa×s | 592.30 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 637.88 | Joback Calculated Property |
Similar Compounds
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Sources
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