Chemical Properties of Benzenebutanamine (CAS 13214-66-9)

InChI

InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2

InChI Key

AGNFWIZBEATIAK-UHFFFAOYSA-N

Formula

C10H15N

SMILES

NCCCCc1ccccc1

Molecular Weight¹

149.23

CAS

13214-66-9

Other Names

• 1-Amino-4-phenylbutane
• 4-Amino-1-phenylbutane
• 4-Phenylbutylamine
• 4-Phenylbutylamine-1
• Butylamine, 4-phenyl-

• BasG : Gas basicity (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
BasG	925.00 ± 12.00	kJ/mol	NIST
ΔfG°	212.18	kJ/mol	Joback Calculated Property
ΔfH°gas	20.59	kJ/mol	Joback Calculated Property
ΔfusH°	20.89	kJ/mol	Joback Calculated Property
ΔvapH°	50.77	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	1.968		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Inp	[1285.10; 1285.10]
Inp	1285.10		NIST
Inp	1285.10		NIST
Tboil	527.41	K	Joback Calculated Property
Tc	743.16	K	Joback Calculated Property
Tfus	312.14	K	Joback Calculated Property
Vc	0.516	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.18; 393.30]	J/mol×K	[527.41; 743.16]
Cp,gas	316.18	J/mol×K	527.41	Joback Calculated Property
Cp,gas	331.17	J/mol×K	563.37	Joback Calculated Property
Cp,gas	345.25	J/mol×K	599.33	Joback Calculated Property
Cp,gas	358.46	J/mol×K	635.29	Joback Calculated Property
Cp,gas	370.85	J/mol×K	671.25	Joback Calculated Property
Cp,gas	382.45	J/mol×K	707.21	Joback Calculated Property
Cp,gas	393.30	J/mol×K	743.16	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[374.64; 535.38]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44981e+01
Coefficient B			-4.17685e+03
Coefficient C			-8.07150e+01
Temperature range, min.			374.64
Temperature range, max.			535.38
Pvap	1.33	kPa	374.64	Calculated Property
Pvap	3.01	kPa	392.50	Calculated Property
Pvap	6.22	kPa	410.36	Calculated Property
Pvap	11.92	kPa	428.22	Calculated Property
Pvap	21.46	kPa	446.08	Calculated Property
Pvap	36.56	kPa	463.94	Calculated Property
Pvap	59.39	kPa	481.80	Calculated Property
Pvap	92.59	kPa	499.66	Calculated Property
Pvap	139.19	kPa	517.52	Calculated Property
Pvap	202.64	kPa	535.38	Calculated Property

Similar Compounds

Find more compounds similar to Benzenebutanamine.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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