Chemical Properties of Octane, 1,1'-oxybis- (CAS 629-82-3)

InChI

InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChI Key

NKJOXAZJBOMXID-UHFFFAOYSA-N

Formula

C16H34O

SMILES

CCCCCCCCOCCCCCCCC

Molecular Weight¹

242.44

CAS

629-82-3

Other Names

• 1,1'-Oxybisoctane
• 1-(Octyloxy)octane
• Antar
• Caprylic ether
• Di-n-octyl ether
• Dicaprylyl ether
• Dioctyl ether
• Ether, di-n-octyl-
• NSC 28948
• Octyl ether
• bis(1-octyl) ether
• cetiol OE
• n-Octyl 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).
• 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.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7801		Relay (1.0) Calculated Property
ΔfG°	-21.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-503.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.38	kJ/mol	Joback Calculated Property
ΔvapH°	77.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-6.28		Relay (1.0) Calculated Property
logPoct/wat	5.724		Crippen Calculated Property
McVol	242.170	ml/mol	McGowan Calculated Property
Pc	1302.35	kPa	Joback Calculated Property
Inp	[1657.00; 1660.00]
Inp	1657.00		NIST
Inp	1660.00		NIST
Inp	1657.00		NIST
I	[1760.00; 1763.00]
I	1761.00		NIST
I	1760.00		NIST
I	1763.00		NIST
I	1763.00		NIST
I	1761.00		NIST
Tboil	[559.70; 559.70]	K
Tboil	559.70	K	NIST
Tboil	559.70 ± 1.50	K	NIST
Tc	723.00	K	Critical properties of some aliphatic symmetrical ethers
Tfus	265.60 ± 1.00	K	NIST
Vc	0.959	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[643.59; 746.38]	J/mol×K	[587.90; 747.10]
Cp,gas	643.59	J/mol×K	587.90	Joback Calculated Property
Cp,gas	662.46	J/mol×K	614.43	Joback Calculated Property
Cp,gas	680.61	J/mol×K	640.97	Joback Calculated Property
Cp,gas	698.07	J/mol×K	667.50	Joback Calculated Property
Cp,gas	714.84	J/mol×K	694.03	Joback Calculated Property
Cp,gas	730.94	J/mol×K	720.56	Joback Calculated Property
Cp,gas	746.38	J/mol×K	747.10	Joback Calculated Property
η	[0.0001206; 0.0033879]	Pa×s	[292.31; 587.90]
η	0.0033879	Pa×s	292.31	Joback Calculated Property
η	0.0013014	Pa×s	341.57	Joback Calculated Property
η	0.0006363	Pa×s	390.84	Joback Calculated Property
η	0.0003651	Pa×s	440.11	Joback Calculated Property
η	0.0002343	Pa×s	489.37	Joback Calculated Property
η	0.0001631	Pa×s	538.63	Joback Calculated Property
η	0.0001206	Pa×s	587.90	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[428.12; 591.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55254e+01
Coefficient B			-5.04961e+03
Coefficient C			-9.67330e+01
Temperature range, min.			428.12
Temperature range, max.			591.12
Pvap	1.33	kPa	428.12	Calculated Property
Pvap	2.94	kPa	446.23	Calculated Property
Pvap	5.98	kPa	464.34	Calculated Property
Pvap	11.40	kPa	482.45	Calculated Property
Pvap	20.51	kPa	500.56	Calculated Property
Pvap	35.09	kPa	518.68	Calculated Property
Pvap	57.42	kPa	536.79	Calculated Property
Pvap	90.38	kPa	554.90	Calculated Property
Pvap	137.43	kPa	573.01	Calculated Property
Pvap	202.66	kPa	591.12	Calculated Property
Pvap	[7.77e-07; 1443.47]	kPa	[265.55; 707.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.98579e+02
Coefficient B			-1.79056e+04
Coefficient C			-2.61592e+01
Coefficient D			1.13104e-05
Temperature range, min.			265.55
Temperature range, max.			707.00
Pvap	7.77e-07	kPa	265.55	Calculated Property
Pvap	4.68e-04	kPa	314.60	Calculated Property
Pvap	0.03	kPa	363.65	Calculated Property
Pvap	0.65	kPa	412.70	Calculated Property
Pvap	5.61	kPa	461.75	Calculated Property
Pvap	28.43	kPa	510.80	Calculated Property
Pvap	100.91	kPa	559.85	Calculated Property
Pvap	282.03	kPa	608.90	Calculated Property
Pvap	672.09	kPa	657.95	Calculated Property
Pvap	1443.47	kPa	707.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Critical properties of some aliphatic symmetrical ethers
• Chemical Equilibrium of the Liquid-Phase Dehydration of 1-Octanol to 1-(Octyloxy)octane
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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