- InChI
- InChI=1S/C9H11Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
- InChI Key
- RNEMUWDQJSRDMQ-UHFFFAOYSA-N
- Formula
- C9H11Cl
- SMILES
- CC(C)c1ccccc1Cl
- Molecular Weight1
- 154.64
- Other Names
-
- 2-Chloroisopropylbenzene
- 2-chlorocumene
- Cumene, o-chloro-
- o-Chlorocumene
- ω : Acentric Factor.
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.3256 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-79.40; -74.80] | kJ/mol |
|
| ΔfH°liquid | -79.40 ± 2.10 | kJ/mol | NIST |
| ΔfH°liquid | -74.80 ± 1.90 | kJ/mol | NIST |
| ΔfH°liquid | -74.80 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 13.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.463 | Crippen Calculated Property | |
| McVol | 126.150 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | [1102.00; 1102.00] |
|
|
| Inp | 1102.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Tboil | [464.15; 464.30] | K |
|
| Tboil | 464.30 | K | NIST |
| Tboil | 464.15 ± 2.00 | K | NIST |
| Tc | 688.13 | K | Relay (1.0) Calculated Property |
| Tfus | 198.95 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [47.70; 48.10] | kJ/mol | [403.00; 435.50] |
|
| ΔvapH | 48.10 | kJ/mol | 403.00 | NIST |
| ΔvapH | 47.70 | kJ/mol | 435.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.79; 370.89] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.36900e+01 | |||
| Coefficient B | 7.33140e-01 | |||
| Coefficient C | -4.53560e-04 | |||
| Coefficient D | 1.05000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 227.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 258.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 307.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 327.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 344.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 358.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 370.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0119336; 0.0002173] | Pa×s | [198.95; 486.08] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12099e+01 | |||
| Coefficient B | 1.34918e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 198.95 | |||
| Temperature range, max. | 486.08 | |||
| η | 0.0119336 | Pa×s | 198.95 | Calculated Property |
| η | 0.0046747 | Pa×s | 230.85 | Calculated Property |
| η | 0.0022992 | Pa×s | 262.76 | Calculated Property |
| η | 0.0013187 | Pa×s | 294.66 | Calculated Property |
| η | 0.0008431 | Pa×s | 326.56 | Calculated Property |
| η | 0.0005837 | Pa×s | 358.47 | Calculated Property |
| η | 0.0004291 | Pa×s | 390.37 | Calculated Property |
| η | 0.0003305 | Pa×s | 422.27 | Calculated Property |
| η | 0.0002641 | Pa×s | 454.18 | Calculated Property |
| η | 0.0002173 | Pa×s | 486.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-(1-methylethyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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