Chemical Properties of 2-Phenylbutyryl chloride (CAS 36854-57-6)

InChI

InChI=1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

InChI Key

QGXMHCMPIAYMGT-UHFFFAOYSA-N

Formula

C10H11ClO

SMILES

CCC(C(=O)Cl)c1ccccc1

Molecular Weight¹

182.65

CAS

36854-57-6

Other Names

• «alpha»-Phenylbutyryl chloride
• Benzeneacetyl chloride, «alpha»-ethyl-
• Butyryl chloride, 2-phenyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.48; 371.25]	J/mol×K	[545.74; 770.42]
Cp,gas	303.48	J/mol×K	545.74	Joback Calculated Property
Cp,gas	316.91	J/mol×K	583.19	Joback Calculated Property
Cp,gas	329.43	J/mol×K	620.63	Joback Calculated Property
Cp,gas	341.08	J/mol×K	658.08	Joback Calculated Property
Cp,gas	351.90	J/mol×K	695.53	Joback Calculated Property
Cp,gas	361.95	J/mol×K	732.97	Joback Calculated Property
Cp,gas	371.25	J/mol×K	770.42	Joback Calculated Property
η	[0.0002491; 0.0038452]	Pa×s	[293.73; 545.74]
η	0.0038452	Pa×s	293.73	Joback Calculated Property
η	0.0018320	Pa×s	335.73	Joback Calculated Property
η	0.0010293	Pa×s	377.73	Joback Calculated Property
η	0.0006490	Pa×s	419.74	Joback Calculated Property
η	0.0004450	Pa×s	461.74	Joback Calculated Property
η	0.0003250	Pa×s	503.74	Joback Calculated Property
η	0.0002491	Pa×s	545.74	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-Phenylbutyryl chloride.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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