- InChI
- InChI=1S/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
- InChI Key
- CVGAWKYSRYXQOI-UHFFFAOYSA-N
- Formula
- C8H9Cl
- SMILES
- CCc1ccccc1Cl
- Molecular Weight1
- 140.61
- CAS
- 89-96-3
- Other Names
-
- 1-Chloro-2-ethylbenzene
- 2-Ethylchlorobenzene
- o-Chloroethylbenzene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.3212 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4403.20 ± 1.30 | kJ/mol | NIST |
| ΔfG° | 107.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-54.00; -48.50] | kJ/mol |
|
| ΔfH°liquid | -48.50 ± 1.60 | kJ/mol | NIST |
| ΔfH°liquid | -54.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.902 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | [1016.00; 1050.00] |
|
|
| Inp | 1038.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1019.50 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1038.00 | NIST | |
| I | [1429.00; 1470.00] |
|
|
| I | 1429.00 | NIST | |
| I | 1439.00 | NIST | |
| I | 1470.00 | NIST | |
| Tboil | [451.58; 451.65] | K |
|
| Tboil | 451.60 | K | NIST |
| Tboil | 451.65 ± 1.50 | K | NIST |
| Tboil | 451.58 ± 0.07 | K | NIST |
| Tc | 672.94 | K | Relay (1.0) Calculated Property |
| Tfus | 189.83 ± 0.05 | K | NIST |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [46.10; 47.20] | kJ/mol | [370.00; 428.00] |
|
| ΔvapH | 47.20 | kJ/mol | 370.00 | NIST |
| ΔvapH | 46.10 | kJ/mol | 428.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.89; 318.76] | 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 | -1.10990e+01 | |||
| Coefficient B | 6.32220e-01 | |||
| Coefficient C | -3.95960e-04 | |||
| Coefficient D | 9.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 196.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 222.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 244.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 264.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 281.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 295.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 308.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 318.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0104627; 0.0002302] | Pa×s | [189.83; 469.00] |
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 | -1.09720e+01 | |||
| Coefficient B | 1.21720e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 189.83 | |||
| Temperature range, max. | 469.00 | |||
| η | 0.0104627 | Pa×s | 189.83 | Calculated Property |
| η | 0.0042513 | Pa×s | 220.85 | Calculated Property |
| η | 0.0021564 | Pa×s | 251.87 | Calculated Property |
| η | 0.0012694 | Pa×s | 282.89 | Calculated Property |
| η | 0.0008297 | Pa×s | 313.91 | Calculated Property |
| η | 0.0005855 | Pa×s | 344.92 | Calculated Property |
| η | 0.0004376 | Pa×s | 375.94 | Calculated Property |
| η | 0.0003419 | Pa×s | 406.96 | Calculated Property |
| η | 0.0002766 | Pa×s | 437.98 | Calculated Property |
| η | 0.0002302 | Pa×s | 469.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [331.24; 512.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.26479e+01 | |||
| Coefficient B | -3.27002e+03 | |||
| Coefficient C | -6.66810e+01 | |||
| Temperature range, min. | 331.24 | |||
| Temperature range, max. | 512.41 | |||
| Pvap | 1.33 | kPa | 331.24 | Calculated Property |
| Pvap | 3.19 | kPa | 351.37 | Calculated Property |
| Pvap | 6.82 | kPa | 371.50 | Calculated Property |
| Pvap | 13.26 | kPa | 391.63 | Calculated Property |
| Pvap | 23.85 | kPa | 411.76 | Calculated Property |
| Pvap | 40.21 | kPa | 431.89 | Calculated Property |
| Pvap | 64.19 | kPa | 452.02 | Calculated Property |
| Pvap | 97.82 | kPa | 472.15 | Calculated Property |
| Pvap | 143.24 | kPa | 492.28 | Calculated Property |
| Pvap | 202.66 | kPa | 512.41 | Calculated Property |
| Pvap | [0.13; 102.60] | kPa | [290.40; 450.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47789e+01 | |||
| Coefficient B | -4.11544e+03 | |||
| Coefficient C | -4.52590e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 290.40 | |||
| Temperature range, max. | 450.80 | |||
| Pvap | 0.13 | kPa | 290.40 | Calculated Property |
| Pvap | 0.42 | kPa | 308.22 | Calculated Property |
| Pvap | 1.13 | kPa | 326.04 | Calculated Property |
| Pvap | 2.71 | kPa | 343.87 | Calculated Property |
| Pvap | 5.89 | kPa | 361.69 | Calculated Property |
| Pvap | 11.78 | kPa | 379.51 | Calculated Property |
| Pvap | 21.97 | kPa | 397.33 | Calculated Property |
| Pvap | 38.59 | kPa | 415.16 | Calculated Property |
| Pvap | 64.35 | kPa | 432.98 | Calculated Property |
| Pvap | 102.60 | kPa | 450.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-ethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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