- InChI
- InChI=1S/C13H17ClO/c1-9(13(2,3)4)10-6-7-12(15-5)11(14)8-10/h6-8H,1H2,2-5H3
- InChI Key
- JMYOLRCCLQTNIL-UHFFFAOYSA-N
- Formula
- C13H17ClO
- SMILES
- C=C(c1ccc(OC)c(Cl)c1)C(C)(C)C
- Molecular Weight1
- 224.73
- CAS
- 146558-40-9
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4731 | Relay (... Calculated Property | |
| PAff | 883.00 | kJ/mol | NIST |
| BasG | 854.20 | kJ/mol | NIST |
| ΔfG° | 116.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.57 | kJ/mol | Relay (... Calculated Property |
| IE | 7.86 | eV | Relay (... Calculated Property |
| log10WS | -4.93 | Relay (... Calculated Property | |
| logPoct/wat | 4.408 | Crippen Calculated Property | |
| McVol | 184.080 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Tboil | 534.98 | K | Relay (... Calculated Property |
| Tc | 764.18 | K | Relay (... Calculated Property |
| Tfus | 336.92 | K | Relay (... Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.42; 516.33] | J/mol×K | [586.66; 808.25] | 
|
| Cp,gas | 433.42 | J/mol×K | 586.66 | Joback Calculated Property |
| Cp,gas | 449.66 | J/mol×K | 623.59 | Joback Calculated Property |
| Cp,gas | 464.86 | J/mol×K | 660.52 | Joback Calculated Property |
| Cp,gas | 479.08 | J/mol×K | 697.45 | Joback Calculated Property |
| Cp,gas | 492.37 | J/mol×K | 734.38 | Joback Calculated Property |
| Cp,gas | 504.77 | J/mol×K | 771.31 | Joback Calculated Property |
| Cp,gas | 516.33 | J/mol×K | 808.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-chloro-4-(2,2-dimethyl-1-methylenepropyl)-1-methoxy-.
Sources
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