Chemical Properties of Benzoyl chloride, 4-(pentyloxy)-

InChI

InChI=1S/C12H15ClO2/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3

InChI Key

IBQDPNHVFRFCFK-UHFFFAOYSA-N

Formula

C12H15ClO2

SMILES

CCCCCOc1ccc(C(=O)Cl)cc1

Molecular Weight¹

226.70

Other Names

• p-Pentyloxybenzoyl chloride
• 4-n-Amyloxybenzoyl chloride
• p-Pentoxybenzoyl chloride
• 4-Pentyloxybenzoyl chloride

• 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).
• T_boil : Normal Boiling Point Temperature (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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.07; 532.64]	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			1.81240e+01
Coefficient B			9.21020e-01
Coefficient C			-4.83860e-04
Coefficient D			7.73600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.07	J/mol×K	273.00	Calculated Property
Cp,gas	286.83	J/mol×K	353.78	Calculated Property
Cp,gas	333.34	J/mol×K	434.56	Calculated Property
Cp,gas	374.85	J/mol×K	515.33	Calculated Property
Cp,gas	411.60	J/mol×K	596.11	Calculated Property
Cp,gas	443.85	J/mol×K	676.89	Calculated Property
Cp,gas	471.83	J/mol×K	757.67	Calculated Property
Cp,gas	495.80	J/mol×K	838.44	Calculated Property
Cp,gas	515.99	J/mol×K	919.22	Calculated Property
Cp,gas	532.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015544; 0.0002134]	Pa×s	[366.02; 581.34]	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			-1.18274e+01
Coefficient B			1.96212e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			366.02
Temperature range, max.			581.34
η	0.0015544	Pa×s	366.02	Calculated Property
η	0.0011187	Pa×s	389.94	Calculated Property
η	0.0008364	Pa×s	413.87	Calculated Property
η	0.0006455	Pa×s	437.79	Calculated Property
η	0.0005117	Pa×s	461.72	Calculated Property
η	0.0004151	Pa×s	485.64	Calculated Property
η	0.0003433	Pa×s	509.57	Calculated Property
η	0.0002889	Pa×s	533.49	Calculated Property
η	0.0002467	Pa×s	557.42	Calculated Property
η	0.0002134	Pa×s	581.34	Calculated Property

Similar Compounds

Find more compounds similar to Benzoyl chloride, 4-(pentyloxy)-.

Sources

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

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