Chemical Properties of Hexane, 1,1'-oxybis- (CAS 112-58-3)

InChI

InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3

InChI Key

BPIUIOXAFBGMNB-UHFFFAOYSA-N

Formula

C12H26O

SMILES

CCCCCCOCCCCCC

Molecular Weight¹

186.33

CAS

112-58-3

Other Names

• 1-(Hexyloxy)hexane
• 7-oxatridecane
• BIS(1-HEXYL)ETHER
• DIHEXYLETHER
• Di-n-hexyl ether
• Dihexyl ether
• Ether, dihexyl
• Hexyl ether
• n-Hexyl ether

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7000		KDB
ΔfG°	-54.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.23	kJ/mol	Joback Calculated Property
ΔfusH°	28.02	kJ/mol	Joback Calculated Property
ΔvapH°	[63.50; 64.10]	kJ/mol
ΔvapH°	64.10	kJ/mol	NIST
ΔvapH°	63.60 ± 0.80	kJ/mol	NIST
ΔvapH°	63.50	kJ/mol	NIST
ΔvapH°	64.10 ± 0.10	kJ/mol	NIST
log10WS	-3.93		Crippen Calculated Property
logPoct/wat	4.164		Crippen Calculated Property
McVol	185.810	ml/mol	McGowan Calculated Property
Pc	1820.00	kPa	KDB
Inp	[1228.00; 1287.00]
Inp	1264.00		NIST
Inp	Outlier 1228.00		NIST
Inp	1265.00		NIST
Inp	1269.00		NIST
Inp	1265.00		NIST
Inp	1269.00		NIST
Inp	1287.00		NIST
I	[1349.00; 1368.00]
I	1367.00		NIST
I	1368.00		NIST
I	1349.00		NIST
I	1359.00		NIST
I	1368.00		NIST
Tboil	[499.60; 501.70]	K
Tboil	499.60	K	KDB
Tboil	501.70	K	NIST
Tc	[657.00; 665.00]	K
Tc	657.00	K	KDB
Tc	665.00	K	Critica...
Tfus	230.00	K	KDB
Vc	0.720	m3/kmol	KDB
Zc	0.2398840		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.65; 525.85]	J/mol×K	[496.38; 657.41]
Cp,gas	435.65	J/mol×K	496.38	Joback Calculated Property
Cp,gas	452.08	J/mol×K	523.22	Joback Calculated Property
Cp,gas	467.95	J/mol×K	550.06	Joback Calculated Property
Cp,gas	483.25	J/mol×K	576.89	Joback Calculated Property
Cp,gas	497.99	J/mol×K	603.73	Joback Calculated Property
Cp,gas	512.19	J/mol×K	630.57	Joback Calculated Property
Cp,gas	525.85	J/mol×K	657.41	Joback Calculated Property
η	[0.0001768; 0.0042171]	Pa×s	[247.23; 496.38]
η	0.0042171	Pa×s	247.23	Joback Calculated Property
η	0.0016995	Pa×s	288.75	Joback Calculated Property
η	0.0008607	Pa×s	330.28	Joback Calculated Property
η	0.0005075	Pa×s	371.80	Joback Calculated Property
η	0.0003327	Pa×s	413.33	Joback Calculated Property
η	0.0002356	Pa×s	454.86	Joback Calculated Property
η	0.0001768	Pa×s	496.38	Joback Calculated Property
ΔvapH	52.90	kJ/mol	441.00	NIST
ρl	794.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[379.48; 531.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52361e+01
Coefficient B			-4.47931e+03
Coefficient C			-7.98300e+01
Temperature range, min.			379.48
Temperature range, max.			531.16
Pvap	1.33	kPa	379.48	Calculated Property
Pvap	2.96	kPa	396.33	Calculated Property
Pvap	6.04	kPa	413.19	Calculated Property
Pvap	11.54	kPa	430.04	Calculated Property
Pvap	20.76	kPa	446.89	Calculated Property
Pvap	35.47	kPa	463.75	Calculated Property
Pvap	57.94	kPa	480.60	Calculated Property
Pvap	90.96	kPa	497.45	Calculated Property
Pvap	137.89	kPa	514.31	Calculated Property
Pvap	202.63	kPa	531.16	Calculated Property
Pvap	[1.37e-06; 1751.16]	kPa	[230.15; 658.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.36877e+02
Coefficient B			-1.28585e+04
Coefficient C			-1.74530e+01
Coefficient D			7.82721e-06
Temperature range, min.			230.15
Temperature range, max.			658.00
Pvap	1.37e-06	kPa	230.15	Calculated Property
Pvap	8.90e-04	kPa	277.69	Calculated Property
Pvap	0.06	kPa	325.23	Calculated Property
Pvap	1.14	kPa	372.77	Calculated Property
Pvap	9.33	kPa	420.31	Calculated Property
Pvap	44.80	kPa	467.84	Calculated Property
Pvap	150.55	kPa	515.38	Calculated Property
Pvap	396.47	kPa	562.92	Calculated Property
Pvap	882.77	kPa	610.46	Calculated Property
Pvap	1751.16	kPa	658.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 1,1'-oxybis-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Critical properties of some aliphatic symmetrical ethers
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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