Chemical Properties of Di-sec-Butyl ether (CAS 6863-58-7)

InChI

InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3

InChI Key

HHBZZTKMMLDNDN-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCC(C)OC(C)CC

Molecular Weight¹

130.23

CAS

6863-58-7

Other Names

• (sec-C4H9)2O
• 2,2'-OXYBIS-BUTANE
• 2,2'-Oxybisbutane
• 3,5-dimethyl-4-oxaheptane
• Bis(2-butyl)ether
• Butane, 2,2'-oxybis-
• SEC-BUTYL ETHER
• bis(2-butyl) ether
• bis-(1-methylpropyl) ether

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4100		KDB
PAff	865.90	kJ/mol	NIST
BasG	838.50	kJ/mol	NIST
ΔcH°liquid	-5319.00 ± 1.00	kJ/mol	NIST
ΔfG°	-93.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-361.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-401.60 ± 1.10	kJ/mol	NIST
ΔfusH°	10.62	kJ/mol	Joback Calculated Property
ΔvapH°	40.88	kJ/mol	NIST
IE	9.11	eV	NIST
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.600		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2550.00	kPa	KDB
Tboil	[394.00; 394.20]	K
Tboil	394.20	K	KDB
Tboil	394.00	K	NIST
Tboil	394.20	K	NIST
Tc	562.00	K	KDB
Tfus	172.00	K	KDB
Vc	0.489	m3/kmol	KDB
Zc	0.2671280		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.37; 331.51]	J/mol×K	[403.98; 575.40]
Cp,gas	257.37	J/mol×K	403.98	Joback Calculated Property
Cp,gas	270.82	J/mol×K	432.55	Joback Calculated Property
Cp,gas	283.82	J/mol×K	461.12	Joback Calculated Property
Cp,gas	296.39	J/mol×K	489.69	Joback Calculated Property
Cp,gas	308.52	J/mol×K	518.26	Joback Calculated Property
Cp,gas	320.23	J/mol×K	546.83	Joback Calculated Property
Cp,gas	331.51	J/mol×K	575.40	Joback Calculated Property
η	[0.0002043; 0.0136903]	Pa×s	[172.15; 403.98]
η	0.0136903	Pa×s	172.15	Joback Calculated Property
η	0.0035734	Pa×s	210.79	Joback Calculated Property
η	0.0014141	Pa×s	249.43	Joback Calculated Property
η	0.0007176	Pa×s	288.06	Joback Calculated Property
η	0.0004275	Pa×s	326.70	Joback Calculated Property
η	0.0002842	Pa×s	365.34	Joback Calculated Property
η	0.0002043	Pa×s	403.98	Joback Calculated Property
ΔvapH	34.06	kJ/mol	394.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[295.76; 417.54]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54197e+01
Coefficient B			-3.70770e+03
Coefficient C			-5.07380e+01
Temperature range, min.			295.76
Temperature range, max.			417.54
Pvap	1.33	kPa	295.76	Calculated Property
Pvap	2.94	kPa	309.29	Calculated Property
Pvap	6.01	kPa	322.82	Calculated Property
Pvap	11.45	kPa	336.35	Calculated Property
Pvap	20.60	kPa	349.88	Calculated Property
Pvap	35.23	kPa	363.42	Calculated Property
Pvap	57.61	kPa	376.95	Calculated Property
Pvap	90.59	kPa	390.48	Calculated Property
Pvap	137.60	kPa	404.01	Calculated Property
Pvap	202.66	kPa	417.54	Calculated Property
Pvap	[2.72e-06; 2397.72]	kPa	[173.15; 559.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.78094e+01
Coefficient B			-7.85694e+03
Coefficient C			-1.07579e+01
Coefficient D			6.67024e-06
Temperature range, min.			173.15
Temperature range, max.			559.00
Pvap	2.72e-06	kPa	173.15	Calculated Property
Pvap	2.29e-03	kPa	216.02	Calculated Property
Pvap	0.15	kPa	258.89	Calculated Property
Pvap	2.60	kPa	301.77	Calculated Property
Pvap	19.13	kPa	344.64	Calculated Property
Pvap	83.20	kPa	387.51	Calculated Property
Pvap	256.22	kPa	430.38	Calculated Property
Pvap	624.33	kPa	473.26	Calculated Property
Pvap	1294.32	kPa	516.13	Calculated Property
Pvap	2397.72	kPa	559.00	Calculated Property

Similar Compounds

Find more compounds similar to Di-sec-Butyl ether.

Mixtures

• Water + Di-sec-Butyl ether
• Methyl Alcohol + Water + Di-sec-Butyl ether
• Ethanol + Water + Di-sec-Butyl ether

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Liquid liquid equilibria for binary systems of tert-amyl ethyl ether (TAEE), isopropyl tert-butyl ether (IPTBE) and di-sec-butyl ether (DSBE) with water and for ternary systems with methanol or ethanol
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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