- InChI
- InChI=1S/C13H17ClO2/c1-4-13(3,5-2)16-12(15)10-7-6-8-11(14)9-10/h6-9H,4-5H2,1-3H3
- InChI Key
- SJNSMUALWJBEGP-UHFFFAOYSA-N
- Formula
- C13H17ClO2
- SMILES
- CCC(C)(CC)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° | -81.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.075 | Crippen Calculated Property | |
| McVol | 189.950 | ml/mol | McGowan Calculated Property |
| Pc | 2220.80 | kPa | Joback Calculated Property |
| Inp | [1637.00; 1637.00] |
|
|
| Inp | 1637.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Tboil | 638.99 | K | Joback Calculated Property |
| Tc | 858.34 | K | Joback Calculated Property |
| Tfus | 379.71 | K | Joback Calculated Property |
| Vc | 0.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.50; 551.63] | J/mol×K | [638.99; 858.34] |
|
| Cp,gas | 474.50 | J/mol×K | 638.99 | Joback Calculated Property |
| Cp,gas | 489.76 | J/mol×K | 675.55 | Joback Calculated Property |
| Cp,gas | 504.00 | J/mol×K | 712.11 | Joback Calculated Property |
| Cp,gas | 517.25 | J/mol×K | 748.67 | Joback Calculated Property |
| Cp,gas | 529.58 | J/mol×K | 785.23 | Joback Calculated Property |
| Cp,gas | 541.02 | J/mol×K | 821.78 | Joback Calculated Property |
| Cp,gas | 551.63 | J/mol×K | 858.34 | Joback Calculated Property |
| η | [0.0001356; 0.0015782] | Pa×s | [379.71; 638.99] |
|
| η | 0.0015782 | Pa×s | 379.71 | Joback Calculated Property |
| η | 0.0008507 | Pa×s | 422.92 | Joback Calculated Property |
| η | 0.0005142 | Pa×s | 466.14 | Joback Calculated Property |
| η | 0.0003385 | Pa×s | 509.35 | Joback Calculated Property |
| η | 0.0002379 | Pa×s | 552.56 | Joback Calculated Property |
| η | 0.0001760 | Pa×s | 595.78 | Joback Calculated Property |
| η | 0.0001356 | Pa×s | 638.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylpentan-3-yl 3-chlorobenzoate.
Sources
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