- InChI
- InChI=1S/C13H17ClO2/c1-9(2)7-10(3)16-13(15)11-5-4-6-12(14)8-11/h4-6,8-10H,7H2,1-3H3
- InChI Key
- NODVZAWIUXDGOW-UHFFFAOYSA-N
- Formula
- C13H17ClO2
- SMILES
- CC(C)CC(C)OC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 240.73
- 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° | -89.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.23 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 3.931 | Crippen Calculated Property | |
| McVol | 189.950 | ml/mol | McGowan Calculated Property |
| Pc | 2214.53 | kPa | Joback Calculated Property |
| Inp | 1612.00 | NIST | |
| Tboil | 641.34 | K | Joback Calculated Property |
| Tc | 857.10 | K | Joback Calculated Property |
| Tfus | 347.29 | K | Joback Calculated Property |
| Vc | 0.717 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.31; 550.28] | J/mol×K | [641.34; 857.10] | 
|
| Cp,gas | 472.31 | J/mol×K | 641.34 | Joback Calculated Property |
| Cp,gas | 487.59 | J/mol×K | 677.30 | Joback Calculated Property |
| Cp,gas | 501.92 | J/mol×K | 713.26 | Joback Calculated Property |
| Cp,gas | 515.33 | J/mol×K | 749.22 | Joback Calculated Property |
| Cp,gas | 527.84 | J/mol×K | 785.18 | Joback Calculated Property |
| Cp,gas | 539.49 | J/mol×K | 821.14 | Joback Calculated Property |
| Cp,gas | 550.28 | J/mol×K | 857.10 | Joback Calculated Property |
| η | [0.0001350; 0.0022528] | Pa×s | [347.29; 641.34] |
|
| η | 0.0022528 | Pa×s | 347.29 | Joback Calculated Property |
| η | 0.0010544 | Pa×s | 396.30 | Joback Calculated Property |
| η | 0.0005833 | Pa×s | 445.31 | Joback Calculated Property |
| η | 0.0003629 | Pa×s | 494.31 | Joback Calculated Property |
| η | 0.0002459 | Pa×s | 543.32 | Joback Calculated Property |
| η | 0.0001778 | Pa×s | 592.33 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 641.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylpentan-2-yl 3-chlorobenzoate.
Sources
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