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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.38; 414.54]	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			-2.15390e+01
Coefficient B			8.59620e-01
Coefficient C			-5.56300e-04
Coefficient D			1.32760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.38	J/mol×K	273.00	Calculated Property
Cp,gas	218.83	J/mol×K	353.78	Calculated Property
Cp,gas	257.86	J/mol×K	434.56	Calculated Property
Cp,gas	291.89	J/mol×K	515.33	Calculated Property
Cp,gas	321.33	J/mol×K	596.11	Calculated Property
Cp,gas	346.62	J/mol×K	676.89	Calculated Property
Cp,gas	368.16	J/mol×K	757.67	Calculated Property
Cp,gas	386.38	J/mol×K	838.44	Calculated Property
Cp,gas	401.70	J/mol×K	919.22	Calculated Property
Cp,gas	414.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038452; 0.0002585]	Pa×s	[293.73; 539.49]	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			-1.14874e+01
Coefficient B			1.74079e+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.			293.73
Temperature range, max.			539.49
η	0.0038452	Pa×s	293.73	Calculated Property
η	0.0023227	Pa×s	321.04	Calculated Property
η	0.0015184	Pa×s	348.34	Calculated Property
η	0.0010559	Pa×s	375.65	Calculated Property
η	0.0007713	Pa×s	402.96	Calculated Property
η	0.0005864	Pa×s	430.26	Calculated Property
η	0.0004606	Pa×s	457.57	Calculated Property
η	0.0003718	Pa×s	484.88	Calculated Property
η	0.0003070	Pa×s	512.18	Calculated Property
η	0.0002585	Pa×s	539.49	Calculated Property

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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