Chemical Properties of N-sec-Butylaniline (CAS 6068-69-5)

InChI

InChI=1S/C10H15N/c1-3-9(2)11-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3

InChI Key

LAMTXWQPHWUMLX-UHFFFAOYSA-N

Formula

C10H15N

SMILES

CCC(C)Nc1ccccc1

Molecular Weight¹

149.23

CAS

6068-69-5

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.23; 454.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.29990e+01
Coefficient B			9.57040e-01
Coefficient C			-6.03200e-04
Coefficient D			1.43300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.23	J/mol×K	273.00	Calculated Property
Cp,gas	226.43	J/mol×K	353.78	Calculated Property
Cp,gas	270.74	J/mol×K	434.56	Calculated Property
Cp,gas	309.62	J/mol×K	515.33	Calculated Property
Cp,gas	343.51	J/mol×K	596.11	Calculated Property
Cp,gas	372.88	J/mol×K	676.89	Calculated Property
Cp,gas	398.17	J/mol×K	757.67	Calculated Property
Cp,gas	419.85	J/mol×K	838.44	Calculated Property
Cp,gas	438.35	J/mol×K	919.22	Calculated Property
Cp,gas	454.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[373.52; 549.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36839e+01
Coefficient B			-3.93695e+03
Coefficient C			-7.96360e+01
Temperature range, min.			373.52
Temperature range, max.			549.87
Pvap	1.33	kPa	373.52	Calculated Property
Pvap	3.08	kPa	393.11	Calculated Property
Pvap	6.45	kPa	412.71	Calculated Property
Pvap	12.43	kPa	432.30	Calculated Property
Pvap	22.38	kPa	451.90	Calculated Property
Pvap	37.98	kPa	471.49	Calculated Property
Pvap	61.28	kPa	491.09	Calculated Property
Pvap	94.67	kPa	510.68	Calculated Property
Pvap	140.82	kPa	530.28	Calculated Property
Pvap	202.66	kPa	549.87	Calculated Property

Similar Compounds

Find more compounds similar to N-sec-Butylaniline.

Sources

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

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