Chemical Properties of Benzenemethanol, 2-(methylamino)- (CAS 29055-08-1)

InChI

InChI=1S/C8H11NO/c1-9-8-5-3-2-4-7(8)6-10/h2-5,9-10H,6H2,1H3

InChI Key

ZWIBBLPQTVLYKW-UHFFFAOYSA-N

Formula

C8H11NO

SMILES

CNc1ccccc1CO

Molecular Weight¹

137.18

CAS

29055-08-1

Other Names

• Benzyl alcohol, o-(methylamino)-
• o-(Methylamino)benzyl alcohol
• [2-(Methylamino)phenyl]methanol

• 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.
• I : 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	0.6517		Relay (1.0) Calculated Property
ΔfG°	71.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
ΔvapH°	82.06	kJ/mol	Relay (1.0) Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	-1.04		Relay (1.0) Calculated Property
logPoct/wat	1.221		Crippen Calculated Property
McVol	115.670	ml/mol	McGowan Calculated Property
Pc	4082.92	kPa	Joback Calculated Property
Inp	[1323.00; 1323.00]
Inp	1323.00		NIST
Inp	1323.00		NIST
I	2476.00		NIST
Tboil	545.64	K	Relay (1.0) Calculated Property
Tc	793.15	K	Relay (1.0) Calculated Property
Tfus	344.03	K	Relay (1.0) Calculated Property
Vc	0.397	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.75; 321.79]	J/mol×K	[556.45; 756.18]
Cp,gas	266.75	J/mol×K	556.45	Joback Calculated Property
Cp,gas	277.34	J/mol×K	589.74	Joback Calculated Property
Cp,gas	287.33	J/mol×K	623.03	Joback Calculated Property
Cp,gas	296.74	J/mol×K	656.32	Joback Calculated Property
Cp,gas	305.61	J/mol×K	689.61	Joback Calculated Property
Cp,gas	313.95	J/mol×K	722.89	Joback Calculated Property
Cp,gas	321.79	J/mol×K	756.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 2-(methylamino)-.

Sources

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

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