- InChI
- InChI=1S/C13H17ClO2/c1-9(13(2,3)4)16-12(15)10-6-5-7-11(14)8-10/h5-9H,1-4H3
- InChI Key
- KUBCEMWGSNRTPX-UHFFFAOYSA-N
- Formula
- C13H17ClO2
- SMILES
- CC(OC(=O)c1cccc(Cl)c1)C(C)(C)C
- 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° | -84.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.33 | 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 | 2237.64 | kPa | Joback Calculated Property |
| Inp | 1598.00 | NIST | |
| Tboil | 638.55 | K | Joback Calculated Property |
| Tc | 862.36 | K | Joback Calculated Property |
| Tfus | 364.71 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.98; 553.47] | J/mol×K | [638.55; 862.36] | 
|
| Cp,gas | 474.98 | J/mol×K | 638.55 | Joback Calculated Property |
| Cp,gas | 490.59 | J/mol×K | 675.85 | Joback Calculated Property |
| Cp,gas | 505.12 | J/mol×K | 713.15 | Joback Calculated Property |
| Cp,gas | 518.62 | J/mol×K | 750.46 | Joback Calculated Property |
| Cp,gas | 531.15 | J/mol×K | 787.76 | Joback Calculated Property |
| Cp,gas | 542.75 | J/mol×K | 825.06 | Joback Calculated Property |
| Cp,gas | 553.47 | J/mol×K | 862.36 | Joback Calculated Property |
| η | [0.0001261; 0.0019636] | Pa×s | [364.71; 638.55] |
|
| η | 0.0019636 | Pa×s | 364.71 | Joback Calculated Property |
| η | 0.0009635 | Pa×s | 410.35 | Joback Calculated Property |
| η | 0.0005452 | Pa×s | 455.99 | Joback Calculated Property |
| η | 0.0003422 | Pa×s | 501.63 | Joback Calculated Property |
| η | 0.0002321 | Pa×s | 547.27 | Joback Calculated Property |
| η | 0.0001671 | Pa×s | 592.91 | Joback Calculated Property |
| η | 0.0001261 | Pa×s | 638.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethylbutan-2-yl 3-chlorobenzoate.
Sources
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