- InChI
- InChI=1S/C12H15Cl/c1-9(12(2,3)4)10-6-5-7-11(13)8-10/h5-8H,1H2,2-4H3
- InChI Key
- XROWFHHSVOICSU-UHFFFAOYSA-N
- Formula
- C12H15Cl
- SMILES
- C=C(c1cccc(Cl)c1)C(C)(C)C
- Molecular Weight1
- 194.70
- CAS
- 146558-43-2
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| PAff | 839.80 | kJ/mol | NIST |
| BasG | 811.00 | kJ/mol | NIST |
| ΔfG° | 223.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 25.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 4.399 | Crippen Calculated Property | |
| McVol | 164.120 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Tboil | 536.38 | K | Joback Calculated Property |
| Tc | 763.90 | K | Joback Calculated Property |
| Tfus | 280.56 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.41; 442.68] | J/mol×K | [536.38; 763.90] | 
|
| Cp,gas | 360.41 | J/mol×K | 536.38 | Joback Calculated Property |
| Cp,gas | 376.82 | J/mol×K | 574.30 | Joback Calculated Property |
| Cp,gas | 392.04 | J/mol×K | 612.22 | Joback Calculated Property |
| Cp,gas | 406.17 | J/mol×K | 650.14 | Joback Calculated Property |
| Cp,gas | 419.26 | J/mol×K | 688.06 | Joback Calculated Property |
| Cp,gas | 431.41 | J/mol×K | 725.98 | Joback Calculated Property |
| Cp,gas | 442.68 | J/mol×K | 763.90 | Joback Calculated Property |
Similar Compounds
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Sources
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