- InChI
- InChI=1S/C8H7ClO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
- InChI Key
- CJPVPOYTTALCNX-UHFFFAOYSA-N
- Formula
- C8H7ClO2
- SMILES
- CC(=O)Oc1ccccc1Cl
- Molecular Weight1
- 170.59
- CAS
- 4525-75-1
- Other Names
-
- o-Acetoxychlorobenzene
- o-Chlorophenyl acetate
- Acetic acid, o-chlorophenyl ester
- Phenol, o-chloro-, acetate
- o-Chlorfenylester kyseliny octove
- 2-Chlorophenyl acetate
- o-Chlorfenylester kyseliny octove (czech)
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.4600 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 ± 0.03 | eV | NIST |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.265 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Inp | [1172.00; 1199.00] |
|
|
| Inp | 1172.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Ip | 1829.00 | NIST | |
| Tboil | 481.19 | K | Relay (1.0) Calculated Property |
| Tc | 726.18 | K | Relay (1.0) Calculated Property |
| Tfus | 273.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.23; 326.87] | 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 | 1.43100e+01 | |||
| Coefficient B | 5.77420e-01 | |||
| Coefficient C | -3.01360e-04 | |||
| Coefficient D | 3.65000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 150.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 259.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 278.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 294.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 308.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 318.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 326.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024158; 0.0002215] | Pa×s | [291.11; 513.31] |
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 | -1.15457e+01 | |||
| Coefficient B | 1.60692e+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. | 291.11 | |||
| Temperature range, max. | 513.31 | |||
| η | 0.0024158 | Pa×s | 291.11 | Calculated Property |
| η | 0.0015691 | Pa×s | 315.80 | Calculated Property |
| η | 0.0010849 | Pa×s | 340.49 | Calculated Property |
| η | 0.0007886 | Pa×s | 365.18 | Calculated Property |
| η | 0.0005968 | Pa×s | 389.86 | Calculated Property |
| η | 0.0004669 | Pa×s | 414.55 | Calculated Property |
| η | 0.0003755 | Pa×s | 439.24 | Calculated Property |
| η | 0.0003091 | Pa×s | 463.93 | Calculated Property |
| η | 0.0002594 | Pa×s | 488.62 | Calculated Property |
| η | 0.0002215 | Pa×s | 513.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 2-chlorophenyl ester.
Sources
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