Chemical Properties of Benzenamine, N,N-dibutyl- (CAS 613-29-6)

InChI

InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

InChI Key

FZPXKEPZZOEPGX-UHFFFAOYSA-N

Formula

C14H23N

SMILES

CCCCN(CCCC)c1ccccc1

Molecular Weight¹

205.34

CAS

613-29-6

Other Names

• Aniline, N,N-dibutyl-
• Dibutylamine, N-phenyl-
• Dibutylaniline
• N,N-Dibutylaniline
• N,N-Dibutylbenzenamine
• N,N-di-n-Butylaniline
• N-Phenyldibutylamine

• 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).
• 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°	290.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-28.23	kJ/mol	Joback Calculated Property
ΔfusH°	29.08	kJ/mol	Joback Calculated Property
ΔvapH°	51.08	kJ/mol	Joback Calculated Property
IE	[6.95; 7.15]	eV
IE	6.95	eV	NIST
IE	7.15	eV	NIST
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	4.093		Crippen Calculated Property
McVol	194.340	ml/mol	McGowan Calculated Property
Pc	2005.50	kPa	Joback Calculated Property
Tboil	[542.65; 542.70]	K
Tboil	542.70	K	NIST
Tboil	542.65 ± 2.00	K	NIST
Tc	750.52	K	Joback Calculated Property
Tfus	241.00 ± 0.02	K	NIST
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.89; 576.11]	J/mol×K	[558.84; 750.52]
Cp,gas	478.89	J/mol×K	558.84	Joback Calculated Property
Cp,gas	497.48	J/mol×K	590.79	Joback Calculated Property
Cp,gas	515.05	J/mol×K	622.73	Joback Calculated Property
Cp,gas	531.66	J/mol×K	654.68	Joback Calculated Property
Cp,gas	547.34	J/mol×K	686.62	Joback Calculated Property
Cp,gas	562.15	J/mol×K	718.57	Joback Calculated Property
Cp,gas	576.11	J/mol×K	750.52	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[413.36; 573.78]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53290e+01
Coefficient B			-4.81143e+03
Coefficient C			-9.34800e+01
Temperature range, min.			413.36
Temperature range, max.			573.78
Pvap	1.33	kPa	413.36	Calculated Property
Pvap	2.95	kPa	431.18	Calculated Property
Pvap	6.02	kPa	449.01	Calculated Property
Pvap	11.49	kPa	466.83	Calculated Property
Pvap	20.68	kPa	484.66	Calculated Property
Pvap	35.34	kPa	502.48	Calculated Property
Pvap	57.77	kPa	520.31	Calculated Property
Pvap	90.77	kPa	538.13	Calculated Property
Pvap	137.74	kPa	555.96	Calculated Property
Pvap	202.64	kPa	573.78	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N,N-dibutyl-.

Sources

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

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