- InChI
- InChI=1S/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
- InChI Key
- GPOFSFLJOIAMSA-UHFFFAOYSA-N
- Formula
- C8H9Cl
- SMILES
- CCc1ccc(Cl)cc1
- Molecular Weight1
- 140.61
- CAS
- 622-98-0
- Other Names
-
- 1-Chloro-4-ethylbenzene
- 4-Chloro-1-ethylbenzene
- 4-Chloroethylbenzene
- 4-Ethylchlorobenzene
- p-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 | 0.3349 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4405.60 ± 1.30 | kJ/mol | NIST |
| ΔfG° | 107.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -9.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-51.60; -49.80] | kJ/mol |
|
| ΔfH°liquid | -49.80 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -51.60 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | 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 | [1028.00; 1067.00] |
|
|
| Inp | 1055.00 | NIST | |
| Inp | 1067.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1028.00 | NIST | |
| I | [1455.00; 1495.00] |
|
|
| I | 1455.00 | NIST | |
| I | 1460.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1455.00 | NIST | |
| Tboil | [456.25; 457.60] | K |
|
| Tboil | 457.60 | K | NIST |
| Tboil | 456.25 ± 1.50 | K | NIST |
| Tboil | 457.57 ± 0.07 | K | NIST |
| Tc | 662.57 | K | Relay (1.0) Calculated Property |
| Tfus | [210.58; 210.60] | K |
|
| Tfus | 210.60 ± 0.02 | K | NIST |
| Tfus | 210.58 ± 0.05 | K | NIST |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [45.50; 46.80] | kJ/mol | [404.00; 433.00] |
|
| ΔvapH | 45.80 | kJ/mol | 404.00 | NIST |
| ΔvapH | 45.50 | kJ/mol | 419.00 | NIST |
| ΔvapH | 46.80 | kJ/mol | 433.00 | 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 | [0.0055607; 0.0002302] | Pa×s | [210.59; 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. | 210.59 | |||
| Temperature range, max. | 469.00 | |||
| η | 0.0055607 | Pa×s | 210.59 | Calculated Property |
| η | 0.0027794 | Pa×s | 239.30 | Calculated Property |
| η | 0.0016117 | Pa×s | 268.01 | Calculated Property |
| η | 0.0010386 | Pa×s | 296.73 | Calculated Property |
| η | 0.0007232 | Pa×s | 325.44 | Calculated Property |
| η | 0.0005340 | Pa×s | 354.15 | Calculated Property |
| η | 0.0004127 | Pa×s | 382.86 | Calculated Property |
| η | 0.0003306 | Pa×s | 411.58 | Calculated Property |
| η | 0.0002726 | Pa×s | 440.29 | Calculated Property |
| η | 0.0002302 | Pa×s | 469.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [336.04; 488.11] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41552e+01 | |||
| Coefficient B | -3.71223e+03 | |||
| Coefficient C | -6.83490e+01 | |||
| Temperature range, min. | 336.04 | |||
| Temperature range, max. | 488.11 | |||
| Pvap | 1.33 | kPa | 336.04 | Calculated Property |
| Pvap | 3.04 | kPa | 352.94 | Calculated Property |
| Pvap | 6.31 | kPa | 369.83 | Calculated Property |
| Pvap | 12.13 | kPa | 386.73 | Calculated Property |
| Pvap | 21.83 | kPa | 403.63 | Calculated Property |
| Pvap | 37.13 | kPa | 420.52 | Calculated Property |
| Pvap | 60.15 | kPa | 437.42 | Calculated Property |
| Pvap | 93.43 | kPa | 454.32 | Calculated Property |
| Pvap | 139.85 | kPa | 471.21 | Calculated Property |
| Pvap | 202.65 | kPa | 488.11 | Calculated Property |
| Pvap | [10.12; 101.26] | kPa | [382.13; 457.57] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39103e+01 | |||
| Coefficient B | -3.52978e+03 | |||
| Coefficient C | -7.77210e+01 | |||
| Reference | Dreisbach and Shrader, 1949 | |||
| Temperature range, min. | 382.13 | |||
| Temperature range, max. | 457.57 | |||
| Pvap | 10.12 | kPa | 382.13 | Calculated Property |
| Pvap | 13.81 | kPa | 390.51 | Calculated Property |
| Pvap | 18.54 | kPa | 398.89 | Calculated Property |
| Pvap | 24.52 | kPa | 407.28 | Calculated Property |
| Pvap | 31.98 | kPa | 415.66 | Calculated Property |
| Pvap | 41.18 | kPa | 424.04 | Calculated Property |
| Pvap | 52.40 | kPa | 432.42 | Calculated Property |
| Pvap | 65.93 | kPa | 440.81 | Calculated Property |
| Pvap | 82.11 | kPa | 449.19 | Calculated Property |
| Pvap | 101.26 | kPa | 457.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-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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