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

• ω : Acentric Factor.
• 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).
• 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_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	0.6304		Relay (1.0) Calculated Property
ΔfG°	131.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-14.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.18	kJ/mol	Joback Calculated Property
ΔvapH°	85.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-0.69		Relay (1.0) 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	534.52	K	Relay (1.0) Calculated Property
Tc	801.49	K	Relay (1.0) Calculated Property
Tfus	331.96	K	Relay (1.0) Calculated Property
Vc	0.434	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.