Chemical Properties of Benzenamine, 4-propyl- (CAS 2696-84-6)

InChI

InChI=1S/C9H13N/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3,10H2,1H3

InChI Key

OAPDPORYXWQVJE-UHFFFAOYSA-N

Formula

C9H13N

SMILES

CCCc1ccc(N)cc1

Molecular Weight¹

135.21

CAS

2696-84-6

Other Names

• (p-Propylphenyl)amine
• 1-Amino-4-propylbenzene
• 4-Propylaniline
• 4-Propylbenzenamine
• 4-n-Propylaniline
• Aniline, 4-propyl-
• Aniline, p-propyl-
• NSC 13208
• p-Aminopropylbenzene
• p-Propylaniline
• p-n-Propylaniline

• 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.
• I : 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
ΔfG°	194.13	kJ/mol	Joback Calculated Property
ΔfH°gas	29.76	kJ/mol	Joback Calculated Property
ΔfusH°	17.92	kJ/mol	Joback Calculated Property
ΔvapH°	49.21	kJ/mol	Joback Calculated Property
IE	[7.41; 7.42]	eV
IE	7.41	eV	NIST
IE	7.42	eV	NIST
log10WS	-2.33		Crippen Calculated Property
logPoct/wat	2.221		Crippen Calculated Property
McVol	123.890	ml/mol	McGowan Calculated Property
Pc	3423.86	kPa	Joback Calculated Property
Inp	1231.10		NIST
I	[2050.00; 2050.00]
I	2050.00		NIST
I	2050.00		NIST
Tboil	498.20	K	NIST
Tc	730.11	K	Joback Calculated Property
Tfus	313.39	K	Joback Calculated Property
Vc	0.461	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.53; 342.28]	J/mol×K	[509.51; 730.11]
Cp,gas	271.53	J/mol×K	509.51	Joback Calculated Property
Cp,gas	285.22	J/mol×K	546.28	Joback Calculated Property
Cp,gas	298.11	J/mol×K	583.04	Joback Calculated Property
Cp,gas	310.23	J/mol×K	619.81	Joback Calculated Property
Cp,gas	321.61	J/mol×K	656.58	Joback Calculated Property
Cp,gas	332.28	J/mol×K	693.35	Joback Calculated Property
Cp,gas	342.28	J/mol×K	730.11	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[372.72; 528.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47433e+01
Coefficient B			-4.24074e+03
Coefficient C			-7.93580e+01
Temperature range, min.			372.72
Temperature range, max.			528.98
Pvap	1.33	kPa	372.72	Calculated Property
Pvap	2.99	kPa	390.08	Calculated Property
Pvap	6.16	kPa	407.44	Calculated Property
Pvap	11.79	kPa	424.81	Calculated Property
Pvap	21.21	kPa	442.17	Calculated Property
Pvap	36.18	kPa	459.53	Calculated Property
Pvap	58.89	kPa	476.89	Calculated Property
Pvap	92.03	kPa	494.26	Calculated Property
Pvap	138.74	kPa	511.62	Calculated Property
Pvap	202.65	kPa	528.98	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 4-propyl-.

Sources

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

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