Chemical Properties of Butyl hexyl ether (CAS 54459-71-1)

InChI

InChI=1S/C10H22O/c1-3-5-7-8-10-11-9-6-4-2/h3-10H2,1-2H3

InChI Key

QCYFOZWGXKXDJA-UHFFFAOYSA-N

Formula

C10H22O

SMILES

CCCCCCOCCCC

Molecular Weight¹

158.28

CAS

54459-71-1

Other Names

• 1-butoxyhexane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5625		Relay (1.0) Calculated Property
ΔfG°	-71.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-378.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.84	kJ/mol	Joback Calculated Property
ΔvapH°	53.20 ± 0.10	kJ/mol	NIST
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	3.383		Crippen Calculated Property
McVol	157.630	ml/mol	McGowan Calculated Property
Pc	2075.54	kPa	Joback Calculated Property
Inp	[1072.00; 1072.00]
Inp	1072.00		NIST
Inp	1072.00		NIST
Tboil	450.15	K	Relay (1.0) Calculated Property
Tc	637.62	K	Relay (1.0) Calculated Property
Tfus	200.86	K	Relay (1.0) Calculated Property
Vc	0.618	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.02; 553.74]	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			1.92980e+01
Coefficient B			8.90640e-01
Coefficient C			-4.09200e-04
Coefficient D			5.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.02	J/mol×K	273.00	Calculated Property
Cp,gas	285.52	J/mol×K	353.78	Calculated Property
Cp,gas	333.41	J/mol×K	434.56	Calculated Property
Cp,gas	376.86	J/mol×K	515.33	Calculated Property
Cp,gas	416.04	J/mol×K	596.11	Calculated Property
Cp,gas	451.11	J/mol×K	676.89	Calculated Property
Cp,gas	482.25	J/mol×K	757.67	Calculated Property
Cp,gas	509.63	J/mol×K	838.44	Calculated Property
Cp,gas	533.40	J/mol×K	919.22	Calculated Property
Cp,gas	553.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043485; 0.0002355]	Pa×s	[224.69; 429.45]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15536e+01
Coefficient B			1.37413e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			224.69
Temperature range, max.			429.45
η	0.0043485	Pa×s	224.69	Calculated Property
η	0.0024782	Pa×s	247.44	Calculated Property
η	0.0015526	Pa×s	270.19	Calculated Property
η	0.0010460	Pa×s	292.94	Calculated Property
η	0.0007459	Pa×s	315.69	Calculated Property
η	0.0005567	Pa×s	338.44	Calculated Property
η	0.0004311	Pa×s	361.19	Calculated Property
η	0.0003441	Pa×s	383.95	Calculated Property
η	0.0002817	Pa×s	406.70	Calculated Property
η	0.0002355	Pa×s	429.45	Calculated Property

Similar Compounds

Find more compounds similar to Butyl hexyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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