Chemical Properties of Cyclobutyl phenyl ketone (CAS 5407-98-7)

InChI

InChI=1S/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChI Key

MVEBDOSCXOQNAR-UHFFFAOYSA-N

Formula

C11H12O

SMILES

O=C(c1ccccc1)C1CCC1

Molecular Weight¹

160.21

CAS

5407-98-7

Other Names

• Benzoylcyclobutane
• Methanone, (cyclobutyl)(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).
• 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

Property	Value	Unit	Source
ω	0.4234		Relay (1.0) Calculated Property
ΔfG°	73.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-67.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.92	kJ/mol	Joback Calculated Property
ΔvapH°	69.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	2.669		Crippen Calculated Property
McVol	132.800	ml/mol	McGowan Calculated Property
Pc	3360.64	kPa	Joback Calculated Property
Tboil	[533.00; 533.20]	K
Tboil	533.20	K	NIST
Tboil	533.00	K	NIST
Tc	775.56	K	Relay (1.0) Calculated Property
Tfus	293.00	K	Relay (1.0) Calculated Property
Vc	0.483	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[389.20; 405.00]	K	[0.90; 2.00]
Tboilr	389.20	K	0.90	NIST
Tboilr	405.00 ± 1.00	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.17; 438.84]	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			-8.90200e+01
Coefficient B			1.08320e+00
Coefficient C			-7.60900e-04
Coefficient D			2.05560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.17	J/mol×K	273.00	Calculated Property
Cp,gas	208.06	J/mol×K	353.78	Calculated Property
Cp,gas	254.87	J/mol×K	434.56	Calculated Property
Cp,gas	295.25	J/mol×K	515.33	Calculated Property
Cp,gas	329.85	J/mol×K	596.11	Calculated Property
Cp,gas	359.31	J/mol×K	676.89	Calculated Property
Cp,gas	384.29	J/mol×K	757.67	Calculated Property
Cp,gas	405.44	J/mol×K	838.44	Calculated Property
Cp,gas	423.41	J/mol×K	919.22	Calculated Property
Cp,gas	438.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028214; 0.0004134]	Pa×s	[304.50; 545.65]	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			-1.02165e+01
Coefficient B			1.32334e+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.			304.50
Temperature range, max.			545.65
η	0.0028214	Pa×s	304.50	Calculated Property
η	0.0019852	Pa×s	331.29	Calculated Property
η	0.0014723	Pa×s	358.09	Calculated Property
η	0.0011383	Pa×s	384.88	Calculated Property
η	0.0009101	Pa×s	411.68	Calculated Property
η	0.0007478	Pa×s	438.47	Calculated Property
η	0.0006285	Pa×s	465.27	Calculated Property
η	0.0005383	Pa×s	492.06	Calculated Property
η	0.0004685	Pa×s	518.85	Calculated Property
η	0.0004134	Pa×s	545.65	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutyl phenyl ketone.

Sources

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

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