Chemical Properties of 1-Hexanone, 1-phenyl- (CAS 942-92-7)

InChI

InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3

InChI Key

MAHPVQDVMLWUAG-UHFFFAOYSA-N

Formula

C12H16O

SMILES

CCCCCC(=O)c1ccccc1

Molecular Weight¹

176.25

CAS

942-92-7

Other Names

• Hexanophenone
• Caprophenone
• Hexaphenone
• Pentyl phenyl ketone
• 1-Phenyl-1-hexanone
• n-Amylphenyl ketone
• n-Hexanophenone

• 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

Property	Value	Unit	Source
ω	0.5482		Relay (1.0) Calculated Property
ΔfG°	33.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-174.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.48	kJ/mol	Joback Calculated Property
ΔvapH°	69.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	3.450		Crippen Calculated Property
McVol	157.750	ml/mol	McGowan Calculated Property
Pc	2561.10	kPa	Joback Calculated Property
Inp	[1426.00; 1482.40]
Inp	1426.00		NIST
Inp	1428.00		NIST
Inp	1478.70		NIST
Inp	1459.90		NIST
Inp	1470.80		NIST
Inp	1482.40		NIST
Inp	1467.70		NIST
Inp	1475.70		NIST
Inp	1431.00		NIST
Inp	1437.00		NIST
Inp	1426.00		NIST
Inp	1478.70		NIST
Inp	1475.70		NIST
Inp	1431.00		NIST
Inp	1437.00		NIST
Tboil	538.20	K	NIST
Tc	740.60	K	Relay (1.0) Calculated Property
Tfus	277.81	K	Relay (1.0) Calculated Property
Vc	0.588	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.50; 448.88]	J/mol×K	[554.71; 762.90]
Cp,gas	368.50	J/mol×K	554.71	Joback Calculated Property
Cp,gas	384.06	J/mol×K	589.41	Joback Calculated Property
Cp,gas	398.71	J/mol×K	624.11	Joback Calculated Property
Cp,gas	412.47	J/mol×K	658.81	Joback Calculated Property
Cp,gas	425.40	J/mol×K	693.50	Joback Calculated Property
Cp,gas	437.52	J/mol×K	728.20	Joback Calculated Property
Cp,gas	448.88	J/mol×K	762.90	Joback Calculated Property
η	[0.0002266; 0.0030718]	Pa×s	[301.35; 554.71]
η	0.0030718	Pa×s	301.35	Joback Calculated Property
η	0.0015232	Pa×s	343.58	Joback Calculated Property
η	0.0008806	Pa×s	385.80	Joback Calculated Property
η	0.0005673	Pa×s	428.03	Joback Calculated Property
η	0.0003954	Pa×s	470.26	Joback Calculated Property
η	0.0002925	Pa×s	512.48	Joback Calculated Property
η	0.0002266	Pa×s	554.71	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1-Hexanone, 1-phenyl-.

Sources

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

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