- InChI
- InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- VMZCDNSFRSVYKQ-UHFFFAOYSA-N
- Formula
- C8H7ClO
- SMILES
- O=C(Cl)Cc1ccccc1
- Molecular Weight1
- 154.59
- CAS
- 103-80-0
- Other Names
-
- Acetyl chloride, phenyl-
- Phenacetyl chloride
- Phenylacetic acid chloride
- Phenylacetyl chloride
- UN 2577
- «alpha»-Phenylacetyl chloride
- «alpha»-Phenylacetyl chloride
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3870 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.994 | Crippen Calculated Property | |
| McVol | 113.630 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Tboil | 482.00 ± 8.00 | K | NIST |
| Tc | 709.27 | K | Relay (1.0) Calculated Property |
| Tfus | 250.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.55; 271.90] | J/mol×K | [500.42; 728.04] | 
|
| Cp,gas | 216.55 | J/mol×K | 500.42 | Joback Calculated Property |
| Cp,gas | 227.58 | J/mol×K | 538.36 | Joback Calculated Property |
| Cp,gas | 237.84 | J/mol×K | 576.29 | Joback Calculated Property |
| Cp,gas | 247.37 | J/mol×K | 614.23 | Joback Calculated Property |
| Cp,gas | 256.20 | J/mol×K | 652.17 | Joback Calculated Property |
| Cp,gas | 264.36 | J/mol×K | 690.11 | Joback Calculated Property |
| Cp,gas | 271.90 | J/mol×K | 728.04 | Joback Calculated Property |
| η | [0.0003049; 0.0029389] | Pa×s | [286.19; 500.42] |
|
| η | 0.0029389 | Pa×s | 286.19 | Joback Calculated Property |
| η | 0.0016339 | Pa×s | 321.89 | Joback Calculated Property |
| η | 0.0010214 | Pa×s | 357.60 | Joback Calculated Property |
| η | 0.0006953 | Pa×s | 393.30 | Joback Calculated Property |
| η | 0.0005047 | Pa×s | 429.01 | Joback Calculated Property |
| η | 0.0003848 | Pa×s | 464.71 | Joback Calculated Property |
| η | 0.0003049 | Pa×s | 500.42 | Joback Calculated Property |
| ΔvapH | 56.50 | kJ/mol | 402.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [367.70; 443.20] | K | [1.60; 33.30] |
|
| Tboilr | 367.70 | K | 1.60 | NIST |
| Tboilr | 443.20 | K | 33.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [362.67; 517.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52019e+01 | |||
| Coefficient B | -4.54533e+03 | |||
| Coefficient C | -5.79100e+01 | |||
| Temperature range, min. | 362.67 | |||
| Temperature range, max. | 517.48 | |||
| Pvap | 1.33 | kPa | 362.67 | Calculated Property |
| Pvap | 2.96 | kPa | 379.87 | Calculated Property |
| Pvap | 6.05 | kPa | 397.07 | Calculated Property |
| Pvap | 11.56 | kPa | 414.27 | Calculated Property |
| Pvap | 20.79 | kPa | 431.47 | Calculated Property |
| Pvap | 35.52 | kPa | 448.68 | Calculated Property |
| Pvap | 58.00 | kPa | 465.88 | Calculated Property |
| Pvap | 91.03 | kPa | 483.08 | Calculated Property |
| Pvap | 137.96 | kPa | 500.28 | Calculated Property |
| Pvap | 202.66 | kPa | 517.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetyl chloride.
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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