- InChI
- InChI=1S/C8H9ClO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
- InChI Key
- IXLSVQMYQRAMEW-UHFFFAOYSA-N
- Formula
- C8H9ClO
- SMILES
- CCOc1ccc(Cl)cc1
- Molecular Weight1
- 156.61
- CAS
- 622-61-7
- Other Names
-
- 1-Chloro-4-ethoxybenzene
- 4-Chlorophenetole
- 4-Chlorophenol ethyl ether
- NSC 6161
- Phenetole, p-chloro-
- p-Chlorophenetole
- p-Chlorophenyl ethyl ether
- p-Ethoxychlorobenzene
- 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).
- 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 | 0.4093 | Relay (1.0) Calculated Property | |
| ΔfG° | 2.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 ± 0.15 | eV | NIST |
| log10WS | -3.24 | 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 |
| Inp | [1157.60; 1157.60] |
|
|
| Inp | 1157.60 | NIST | |
| Inp | 1157.60 | NIST | |
| Tboil | 485.09 ± 0.07 | K | NIST |
| Tc | 677.48 | K | Relay (1.0) Calculated Property |
| Tfus | 290.29 ± 0.05 | K | NIST |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.21; 284.16] | J/mol×K | [473.95; 690.26] |
|
| Cp,gas | 224.21 | J/mol×K | 473.95 | Joback Calculated Property |
| Cp,gas | 235.63 | J/mol×K | 510.00 | Joback Calculated Property |
| Cp,gas | 246.47 | J/mol×K | 546.05 | Joback Calculated Property |
| Cp,gas | 256.73 | J/mol×K | 582.10 | Joback Calculated Property |
| Cp,gas | 266.42 | J/mol×K | 618.15 | Joback Calculated Property |
| Cp,gas | 275.56 | J/mol×K | 654.20 | Joback Calculated Property |
| Cp,gas | 284.16 | J/mol×K | 690.26 | Joback Calculated Property |
| η | [0.0002194; 0.0018210] | Pa×s | [271.01; 473.95] |
|
| η | 0.0018210 | Pa×s | 271.01 | Joback Calculated Property |
| η | 0.0010524 | Pa×s | 304.83 | Joback Calculated Property |
| η | 0.0006786 | Pa×s | 338.66 | Joback Calculated Property |
| η | 0.0004738 | Pa×s | 372.48 | Joback Calculated Property |
| η | 0.0003513 | Pa×s | 406.30 | Joback Calculated Property |
| η | 0.0002727 | Pa×s | 440.13 | Joback Calculated Property |
| η | 0.0002194 | Pa×s | 473.95 | Joback Calculated Property |
| ΔvapH | 49.50 | kJ/mol | 440.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [357.69; 523.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48433e+01 | |||
| Coefficient B | -4.57835e+03 | |||
| Coefficient C | -4.31500e+01 | |||
| Temperature range, min. | 357.69 | |||
| Temperature range, max. | 523.47 | |||
| Pvap | 1.33 | kPa | 357.69 | Calculated Property |
| Pvap | 2.98 | kPa | 376.11 | Calculated Property |
| Pvap | 6.13 | kPa | 394.53 | Calculated Property |
| Pvap | 11.74 | kPa | 412.95 | Calculated Property |
| Pvap | 21.12 | kPa | 431.37 | Calculated Property |
| Pvap | 36.03 | kPa | 449.79 | Calculated Property |
| Pvap | 58.69 | kPa | 468.21 | Calculated Property |
| Pvap | 91.80 | kPa | 486.63 | Calculated Property |
| Pvap | 138.56 | kPa | 505.05 | Calculated Property |
| Pvap | 202.63 | kPa | 523.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-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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