- InChI
- InChI=1S/C8H9ClO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
- InChI Key
- IRYSAAMKXPLGAM-UHFFFAOYSA-N
- Formula
- C8H9ClO
- SMILES
- CCOc1ccccc1Cl
- Molecular Weight1
- 156.61
- CAS
- 614-72-2
- Other Names
-
- 1-Chloro-2-ethoxybenzene
- 2-Chlorophenetole
- 2-Chlorophenol ethyl ether
- Phenetole, o-chloro-
- o-Chlorophenetole
- o-Chlorophenyl ethyl ether
- 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).
- 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).
- 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 | 0.3925 | Relay (1.0) Calculated Property | |
| ΔfG° | 2.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.739 | Crippen Calculated Property | |
| McVol | 117.930 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Tboil | 464.44 | K | Relay (1.0) Calculated Property |
| Tc | 692.69 | K | Relay (1.0) Calculated Property |
| Tfus | 261.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 52.40 | kJ/mol | 399.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.30; 337.26] | 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 | 1.44010e+01 | |||
| Coefficient B | 5.69020e-01 | |||
| Coefficient C | -2.84960e-04 | |||
| Coefficient D | 3.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 260.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 281.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 298.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 314.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 326.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 337.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018210; 0.0002077] | Pa×s | [271.01; 483.38] |
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 | -1.12502e+01 | |||
| Coefficient B | 1.33929e+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. | 271.01 | |||
| Temperature range, max. | 483.38 | |||
| η | 0.0018210 | Pa×s | 271.01 | Calculated Property |
| η | 0.0012257 | Pa×s | 294.61 | Calculated Property |
| η | 0.0008750 | Pa×s | 318.20 | Calculated Property |
| η | 0.0006543 | Pa×s | 341.80 | Calculated Property |
| η | 0.0005080 | Pa×s | 365.40 | Calculated Property |
| η | 0.0004068 | Pa×s | 388.99 | Calculated Property |
| η | 0.0003341 | Pa×s | 412.59 | Calculated Property |
| η | 0.0002803 | Pa×s | 436.19 | Calculated Property |
| η | 0.0002394 | Pa×s | 459.79 | Calculated Property |
| η | 0.0002077 | Pa×s | 483.38 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 202.64] | kPa | [318.00; 521.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58957e+01 | |||
| Coefficient B | -5.30345e+03 | |||
| Coefficient C | -2.06400e+01 | |||
| Temperature range, min. | 318.00 | |||
| Temperature range, max. | 521.71 | |||
| Pvap | 0.14 | kPa | 318.00 | Calculated Property |
| Pvap | 0.51 | kPa | 340.63 | Calculated Property |
| Pvap | 1.52 | kPa | 363.27 | Calculated Property |
| Pvap | 3.96 | kPa | 385.90 | Calculated Property |
| Pvap | 9.24 | kPa | 408.54 | Calculated Property |
| Pvap | 19.63 | kPa | 431.17 | Calculated Property |
| Pvap | 38.56 | kPa | 453.81 | Calculated Property |
| Pvap | 70.83 | kPa | 476.44 | Calculated Property |
| Pvap | 122.82 | kPa | 499.08 | Calculated Property |
| Pvap | 202.64 | kPa | 521.71 | Calculated Property |
| Pvap | [0.13; 99.71] | kPa | [318.90; 481.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.60582e+01 | |||
| Coefficient B | -5.07571e+03 | |||
| Coefficient C | -3.79360e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 318.90 | |||
| Temperature range, max. | 481.00 | |||
| Pvap | 0.13 | kPa | 318.90 | Calculated Property |
| Pvap | 0.40 | kPa | 336.91 | Calculated Property |
| Pvap | 1.05 | kPa | 354.92 | Calculated Property |
| Pvap | 2.48 | kPa | 372.93 | Calculated Property |
| Pvap | 5.36 | kPa | 390.94 | Calculated Property |
| Pvap | 10.78 | kPa | 408.96 | Calculated Property |
| Pvap | 20.31 | kPa | 426.97 | Calculated Property |
| Pvap | 36.18 | kPa | 444.98 | Calculated Property |
| Pvap | 61.37 | kPa | 462.99 | Calculated Property |
| Pvap | 99.71 | kPa | 481.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-ethoxy-.
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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