Chemical Properties of Benzenamine, N-propyl- (CAS 622-80-0)

InChI

InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

InChI Key

CDZOGLJOFWFVOZ-UHFFFAOYSA-N

Formula

C9H13N

SMILES

CCCNc1ccccc1

Molecular Weight¹

135.21

CAS

622-80-0

Other Names

• Aniline, N-n-propyl-
• Aniline, N-propyl-
• N-(n-Propyl)aniline
• N-Propylaniline
• Propylaniline

• 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).
• 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
ω	0.4542		Relay (1.0) Calculated Property
ΔfG°	226.70	kJ/mol	Joback Calculated Property
ΔfH°gas	41.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.21	kJ/mol	Joback Calculated Property
ΔvapH°	55.02	kJ/mol	Relay (1.0) Calculated Property
IE	[7.50; 7.54]	eV
IE	7.54	eV	NIST
IE	7.50	eV	NIST
log10WS	-2.38		Relay (1.0) Calculated Property
logPoct/wat	2.508		Crippen Calculated Property
McVol	123.890	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
Tboil	495.20	K	NIST
Tc	710.96	K	Relay (1.0) Calculated Property
Tfus	236.10	K	Relay (1.0) Calculated Property
Vc	0.447	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.33; 334.34]	J/mol×K	[482.17; 691.55]
Cp,gas	260.33	J/mol×K	482.17	Joback Calculated Property
Cp,gas	274.63	J/mol×K	517.07	Joback Calculated Property
Cp,gas	288.10	J/mol×K	551.96	Joback Calculated Property
Cp,gas	300.77	J/mol×K	586.86	Joback Calculated Property
Cp,gas	312.68	J/mol×K	621.76	Joback Calculated Property
Cp,gas	323.85	J/mol×K	656.66	Joback Calculated Property
Cp,gas	334.34	J/mol×K	691.55	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[371.12; 525.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48211e+01
Coefficient B			-4.24839e+03
Coefficient C			-7.88020e+01
Temperature range, min.			371.12
Temperature range, max.			525.55
Pvap	1.33	kPa	371.12	Calculated Property
Pvap	2.98	kPa	388.28	Calculated Property
Pvap	6.14	kPa	405.44	Calculated Property
Pvap	11.75	kPa	422.60	Calculated Property
Pvap	21.14	kPa	439.76	Calculated Property
Pvap	36.06	kPa	456.91	Calculated Property
Pvap	58.73	kPa	474.07	Calculated Property
Pvap	91.85	kPa	491.23	Calculated Property
Pvap	138.60	kPa	508.39	Calculated Property
Pvap	202.65	kPa	525.55	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.