Chemical Properties of N,N-Di-(n-propyl)benzenamine (CAS 2217-07-4)

InChI

InChI=1S/C12H19N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

InChI Key

MMFBQHXDINNBMW-UHFFFAOYSA-N

Formula

C12H19N

SMILES

CCCN(CCC)c1ccccc1

Molecular Weight¹

177.29

CAS

2217-07-4

Other Names

• Aniline, N,N-dipropyl-
• Benzenamine, N,N-dipropyl-
• Dipropylamine, N-phenyl-
• Dipropylaniline
• N,N-Dipropylaniline
• N,N-di-n-Propylaniline

• PAff : Proton affinity (kJ/mol).
• 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).
• 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
PAff	963.00	kJ/mol	NIST
BasG	931.10	kJ/mol	NIST
ΔfG°	273.35	kJ/mol	Joback Calculated Property
ΔfH°gas	13.05	kJ/mol	Joback Calculated Property
ΔfusH°	23.90	kJ/mol	Joback Calculated Property
ΔvapH°	46.62	kJ/mol	Joback Calculated Property
IE	[6.93; 7.15]	eV
IE	6.93	eV	NIST
IE	6.96	eV	NIST
IE	7.15	eV	NIST
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	3.313		Crippen Calculated Property
McVol	166.160	ml/mol	McGowan Calculated Property
Pc	2400.57	kPa	Joback Calculated Property
Tboil	513.08	K	Joback Calculated Property
Tc	709.79	K	Joback Calculated Property
Tfus	283.89	K	Joback Calculated Property
Vc	0.618	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.18; 471.42]	J/mol×K	[513.08; 709.79]
Cp,gas	380.18	J/mol×K	513.08	Joback Calculated Property
Cp,gas	397.70	J/mol×K	545.86	Joback Calculated Property
Cp,gas	414.23	J/mol×K	578.65	Joback Calculated Property
Cp,gas	429.83	J/mol×K	611.43	Joback Calculated Property
Cp,gas	444.53	J/mol×K	644.22	Joback Calculated Property
Cp,gas	458.38	J/mol×K	677.00	Joback Calculated Property
Cp,gas	471.42	J/mol×K	709.79	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[387.12; 549.86]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46578e+01
Coefficient B			-4.35069e+03
Coefficient C			-8.43620e+01
Temperature range, min.			387.12
Temperature range, max.			549.86
Pvap	1.33	kPa	387.12	Calculated Property
Pvap	3.00	kPa	405.20	Calculated Property
Pvap	6.18	kPa	423.28	Calculated Property
Pvap	11.84	kPa	441.37	Calculated Property
Pvap	21.30	kPa	459.45	Calculated Property
Pvap	36.31	kPa	477.53	Calculated Property
Pvap	59.06	kPa	495.61	Calculated Property
Pvap	92.22	kPa	513.70	Calculated Property
Pvap	138.90	kPa	531.78	Calculated Property
Pvap	202.65	kPa	549.86	Calculated Property

Similar Compounds

Find more compounds similar to N,N-Di-(n-propyl)benzenamine.

Sources

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

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