Chemical Properties of 1-Pentanone, 1-phenyl- (CAS 1009-14-9)

InChI

InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChI Key

XKGLSKVNOSHTAD-UHFFFAOYSA-N

Formula

C11H14O

SMILES

CCCCC(=O)c1ccccc1

Molecular Weight¹

162.23

CAS

1009-14-9

Other Names

• Valerophenone
• Butyl phenyl ketone
• 1-Phenyl-1-pentanone
• Pentanophenone

• 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
ΔfG°	25.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.42	kJ/mol	Joback Calculated Property
ΔfusH°	19.89	kJ/mol	Joback Calculated Property
ΔvapH°	49.10	kJ/mol	Joback Calculated Property
IE	9.30	eV	NIST
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	3.060		Crippen Calculated Property
McVol	143.660	ml/mol	McGowan Calculated Property
Pc	2829.33	kPa	Joback Calculated Property
Inp	[1327.00; 1380.00]
Inp	1373.20		NIST
Inp	1355.60		NIST
Inp	1365.70		NIST
Inp	1378.70		NIST
Inp	1366.20		NIST
Inp	1372.60		NIST
Inp	1359.50		NIST
Inp	1372.00		NIST
Inp	1374.00		NIST
Inp	1374.00		NIST
Inp	1374.00		NIST
Inp	1374.00		NIST
Inp	1375.00		NIST
Inp	1375.00		NIST
Inp	1375.00		NIST
Inp	1376.00		NIST
Inp	1376.00		NIST
Inp	1378.00		NIST
Inp	1380.00		NIST
Inp	1364.00		NIST
Inp	Outlier 1327.00		NIST
Inp	1373.20		NIST
Inp	1372.60		NIST
Tboil	531.63	K	Joback Calculated Property
Tc	743.09	K	Joback Calculated Property
Tfus	290.08	K	Joback Calculated Property
Vc	0.549	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.62; 397.96]	J/mol×K	[531.63; 743.09]
Cp,gas	321.62	J/mol×K	531.63	Joback Calculated Property
Cp,gas	336.43	J/mol×K	566.87	Joback Calculated Property
Cp,gas	350.36	J/mol×K	602.12	Joback Calculated Property
Cp,gas	363.44	J/mol×K	637.36	Joback Calculated Property
Cp,gas	375.71	J/mol×K	672.61	Joback Calculated Property
Cp,gas	387.21	J/mol×K	707.85	Joback Calculated Property
Cp,gas	397.96	J/mol×K	743.09	Joback Calculated Property
η	[0.0002439; 0.0031127]	Pa×s	[290.08; 531.63]
η	0.0031127	Pa×s	290.08	Joback Calculated Property
η	0.0015721	Pa×s	330.34	Joback Calculated Property
η	0.0009211	Pa×s	370.60	Joback Calculated Property
η	0.0005992	Pa×s	410.86	Joback Calculated Property
η	0.0004210	Pa×s	451.11	Joback Calculated Property
η	0.0003133	Pa×s	491.37	Joback Calculated Property
η	0.0002439	Pa×s	531.63	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.