Chemical Properties of Benzenemethanamine, N-(1-methylethyl)- (CAS 102-97-6)

InChI

InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

InChI Key

LYBKPDDZTNUNNM-UHFFFAOYSA-N

Formula

C10H15N

SMILES

CC(C)NCc1ccccc1

Molecular Weight¹

149.23

CAS

102-97-6

Other Names

• Benzylamine, N-isopropyl-
• Benzylisopropylamine
• Isopropylbenzylamine
• N-Benzyl-N-isopropylamine
• N-Benzylisopropylamine
• N-Isopropylbenzylamine

• 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).
• P_vap : Vapor 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	0.3939		Relay (1.0) Calculated Property
ΔfG°	232.68	kJ/mol	Joback Calculated Property
ΔfH°gas	36.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.27	kJ/mol	Joback Calculated Property
ΔvapH°	56.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-0.97		Relay (1.0) Calculated Property
logPoct/wat	2.185		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	2999.15	kPa	Joback Calculated Property
Inp	[1149.70; 1149.70]
Inp	1149.70		NIST
Inp	1149.70		NIST
Tboil	473.20	K	NIST
Tc	673.67	K	Relay (1.0) Calculated Property
Tfus	252.27	K	Relay (1.0) Calculated Property
Vc	0.501	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.23; 454.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.29990e+01
Coefficient B			9.57040e-01
Coefficient C			-6.03200e-04
Coefficient D			1.43300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.23	J/mol×K	273.00	Calculated Property
Cp,gas	226.43	J/mol×K	353.78	Calculated Property
Cp,gas	270.74	J/mol×K	434.56	Calculated Property
Cp,gas	309.62	J/mol×K	515.33	Calculated Property
Cp,gas	343.51	J/mol×K	596.11	Calculated Property
Cp,gas	372.88	J/mol×K	676.89	Calculated Property
Cp,gas	398.17	J/mol×K	757.67	Calculated Property
Cp,gas	419.85	J/mol×K	838.44	Calculated Property
Cp,gas	438.35	J/mol×K	919.22	Calculated Property
Cp,gas	454.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[351.98; 503.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45966e+01
Coefficient B			-3.99642e+03
Coefficient C			-7.26860e+01
Temperature range, min.			351.98
Temperature range, max.			503.10
Pvap	1.33	kPa	351.98	Calculated Property
Pvap	3.00	kPa	368.77	Calculated Property
Pvap	6.19	kPa	385.56	Calculated Property
Pvap	11.87	kPa	402.35	Calculated Property
Pvap	21.36	kPa	419.14	Calculated Property
Pvap	36.40	kPa	435.94	Calculated Property
Pvap	59.19	kPa	452.73	Calculated Property
Pvap	92.36	kPa	469.52	Calculated Property
Pvap	139.01	kPa	486.31	Calculated Property
Pvap	202.65	kPa	503.10	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanamine, N-(1-methylethyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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