- InChI
- InChI=1S/C16H21ClO2/c1-3-4-5-6-7-13(2)19-16(18)12-14-8-10-15(17)11-9-14/h6-11,13H,3-5,12H2,1-2H3/b7-6+
- InChI Key
- VCXIBZREMGTTKG-VOTSOKGWSA-N
- Formula
- C16H21ClO2
- SMILES
- CCCCC=CC(C)OC(=O)Cc1ccc(Cl)cc1
- Molecular Weight1
- 280.79
- 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° | 18.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.26 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.561 | Crippen Calculated Property | |
| McVol | 227.920 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Inp | [1930.00; 1930.00] |
|
|
| Inp | 1930.00 | NIST | |
| Inp | 1930.00 | NIST | |
| Tboil | 714.58 | K | Joback Calculated Property |
| Tc | 924.68 | K | Joback Calculated Property |
| Tfus | 391.02 | K | Joback Calculated Property |
| Vc | 0.871 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.93; 687.34] | J/mol×K | [714.58; 924.68] |
|
| Cp,gas | 606.93 | J/mol×K | 714.58 | Joback Calculated Property |
| Cp,gas | 622.65 | J/mol×K | 749.60 | Joback Calculated Property |
| Cp,gas | 637.38 | J/mol×K | 784.61 | Joback Calculated Property |
| Cp,gas | 651.17 | J/mol×K | 819.63 | Joback Calculated Property |
| Cp,gas | 664.06 | J/mol×K | 854.64 | Joback Calculated Property |
| Cp,gas | 676.10 | J/mol×K | 889.66 | Joback Calculated Property |
| Cp,gas | 687.34 | J/mol×K | 924.68 | Joback Calculated Property |
| η | [0.0000881; 0.0013438] | Pa×s | [391.02; 714.58] |
|
| η | 0.0013438 | Pa×s | 391.02 | Joback Calculated Property |
| η | 0.0006481 | Pa×s | 444.95 | Joback Calculated Property |
| η | 0.0003659 | Pa×s | 498.87 | Joback Calculated Property |
| η | 0.0002310 | Pa×s | 552.80 | Joback Calculated Property |
| η | 0.0001582 | Pa×s | 606.73 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 660.65 | Joback Calculated Property |
| η | 0.0000881 | Pa×s | 714.58 | Joback Calculated Property |
Similar Compounds
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Sources
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