- 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
- CAS
- 2077-13-6
- Other Names
-
- Cumene, o-chloro-
- o-Chlorocumene
- 2-Chloroisopropylbenzene
- 2-chlorocumene
- 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).
- 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° | 113.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.05 | kJ/mol | Joback 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° | 42.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.34 | Crippen 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 | 694.11 | K | Joback Calculated Property |
| Tfus | 245.05 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.09; 311.78] | J/mol×K | [473.97; 694.11] |
|
| Cp,gas | 243.09 | J/mol×K | 473.97 | Joback Calculated Property |
| Cp,gas | 256.40 | J/mol×K | 510.66 | Joback Calculated Property |
| Cp,gas | 268.93 | J/mol×K | 547.35 | Joback Calculated Property |
| Cp,gas | 280.70 | J/mol×K | 584.04 | Joback Calculated Property |
| Cp,gas | 291.74 | J/mol×K | 620.73 | Joback Calculated Property |
| Cp,gas | 302.10 | J/mol×K | 657.42 | Joback Calculated Property |
| Cp,gas | 311.78 | J/mol×K | 694.11 | Joback Calculated Property |
| η | [0.0002333; 0.0033321] | Pa×s | [245.05; 473.97] |
|
| η | 0.0033321 | Pa×s | 245.05 | Joback Calculated Property |
| η | 0.0015870 | Pa×s | 283.20 | Joback Calculated Property |
| η | 0.0009014 | Pa×s | 321.36 | Joback Calculated Property |
| η | 0.0005773 | Pa×s | 359.51 | Joback Calculated Property |
| η | 0.0004028 | Pa×s | 397.66 | Joback Calculated Property |
| η | 0.0002993 | Pa×s | 435.82 | Joback Calculated Property |
| η | 0.0002333 | Pa×s | 473.97 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-(1-methylethyl)-.
Sources
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