Chemical Properties of Benzenepropanenitrile, «beta»-hydroxy- (CAS 17190-29-3)

InChI

InChI=1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2

InChI Key

HILDHWAXSORHRZ-UHFFFAOYSA-N

Formula

C9H9NO

SMILES

N#CCC(O)c1ccccc1

Molecular Weight¹

147.17

CAS

17190-29-3

Other Names

• Hydracrylonitrile, 3-phenyl-
• Propionitrile, 3-hydroxy-3-phenyl-
• 3-Hydroxy-3-phenylpropanenitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_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°	131.23	kJ/mol	Joback Calculated Property
ΔfH°gas	14.81	kJ/mol	Joback Calculated Property
ΔfusH°	15.18	kJ/mol	Joback Calculated Property
ΔvapH°	64.67	kJ/mol	Joback Calculated Property
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	1.634		Crippen Calculated Property
McVol	121.160	ml/mol	McGowan Calculated Property
Pc	3560.02	kPa	Joback Calculated Property
Inp	[1431.40; 1431.40]
Inp	1431.40		NIST
Inp	1431.40		NIST
Tboil	625.82	K	Joback Calculated Property
Tc	840.17	K	Joback Calculated Property
Tfus	328.42	K	Joback Calculated Property
Vc	0.470	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.48; 336.52]	J/mol×K	[625.82; 840.17]
Cp,gas	288.48	J/mol×K	625.82	Joback Calculated Property
Cp,gas	297.98	J/mol×K	661.54	Joback Calculated Property
Cp,gas	306.84	J/mol×K	697.27	Joback Calculated Property
Cp,gas	315.09	J/mol×K	732.99	Joback Calculated Property
Cp,gas	322.77	J/mol×K	768.72	Joback Calculated Property
Cp,gas	329.90	J/mol×K	804.44	Joback Calculated Property
Cp,gas	336.52	J/mol×K	840.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanenitrile, «beta»-hydroxy-.

Sources

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

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