Chemical Properties of Benzenemethanol, 2-chloro-«alpha»-[[(1-methylethyl)amino]methyl]- (CAS 3811-25-4)

InChI

InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3

InChI Key

SSMSBSWKLKKXGG-UHFFFAOYSA-N

Formula

C11H16ClNO

SMILES

CC(C)NCC(O)c1ccccc1Cl

Molecular Weight¹

213.70

CAS

3811-25-4

Other Names

• Clorprenaline
• Isoprophenamineisoprofenamine
• o-Chloro-«alpha»-[(isopropylamino)methyl]benzyl alcohol
• Chlorprenaline

• 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°	80.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.37	kJ/mol	Joback Calculated Property
ΔfusH°	24.24	kJ/mol	Joback Calculated Property
ΔvapH°	69.74	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	2.371		Crippen Calculated Property
McVol	170.180	ml/mol	McGowan Calculated Property
Pc	2847.48	kPa	Joback Calculated Property
Inp	[1556.00; 1604.00]
Inp	1560.00		NIST
Inp	1560.00		NIST
Inp	1564.00		NIST
Inp	1566.00		NIST
Inp	1556.00		NIST
Inp	Outlier 1604.00		NIST
Inp	1560.00		NIST
Tboil	661.64	K	Joback Calculated Property
Tc	864.63	K	Joback Calculated Property
Tfus	366.07	K	Joback Calculated Property
Vc	0.634	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.37; 499.64]	J/mol×K	[661.64; 864.63]
Cp,gas	435.37	J/mol×K	661.64	Joback Calculated Property
Cp,gas	447.88	J/mol×K	695.47	Joback Calculated Property
Cp,gas	459.62	J/mol×K	729.30	Joback Calculated Property
Cp,gas	470.64	J/mol×K	763.13	Joback Calculated Property
Cp,gas	480.95	J/mol×K	796.96	Joback Calculated Property
Cp,gas	490.61	J/mol×K	830.80	Joback Calculated Property
Cp,gas	499.64	J/mol×K	864.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 2-chloro-«alpha»-[[(1-methylethyl)amino]methyl]-.

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.