Chemical Properties of Butane, 1,1'-[ethylidenebis(oxy)]bis- (CAS 871-22-7)

InChI

InChI=1S/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3

InChI Key

SWTCCCJQNPGXLQ-UHFFFAOYSA-N

Formula

C10H22O2

SMILES

CCCCOC(C)OCCCC

Molecular Weight¹

174.28

CAS

871-22-7

Other Names

• 1,1'-[ethylidenebis(oxy)]dibutane
• 1,1-Di-n-butoxyethane
• 1,1-Dibutoxyethane
• 6-Methyl-5,7-dioxaundecane
• Acetaldehyde, dibutyl acetal
• DIBUTYL ACETAL ACETALDEHYDE
• Di-n-butyl acetal
• Dibutyl acetal
• Ethane, 1,1-dibutoxy-

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

Physical Properties

Property	Value	Unit	Source
ω	0.5468		Relay (1.0) Calculated Property
ΔfG°	-179.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-556.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.51	kJ/mol	Joback Calculated Property
ΔvapH°	52.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Relay (1.0) Calculated Property
logPoct/wat	2.966		Crippen Calculated Property
McVol	163.500	ml/mol	McGowan Calculated Property
Pc	2058.62	kPa	Joback Calculated Property
Inp	1095.00		NIST
Tboil	[371.85; 459.00]	K
Tboil	371.85 ± 0.50	K	NIST
Tboil	459.00 ± 4.00	K	NIST
Tc	606.02	K	Relay (1.0) Calculated Property
Tfus	183.89	K	Relay (1.0) Calculated Property
Vc	0.632	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.11; 572.78]	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			4.31160e+01
Coefficient B			8.33360e-01
Coefficient C			-3.01400e-04
Coefficient D			-2.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.11	J/mol×K	273.00	Calculated Property
Cp,gas	300.12	J/mol×K	353.78	Calculated Property
Cp,gas	348.15	J/mol×K	434.56	Calculated Property
Cp,gas	392.22	J/mol×K	515.33	Calculated Property
Cp,gas	432.30	J/mol×K	596.11	Calculated Property
Cp,gas	468.40	J/mol×K	676.89	Calculated Property
Cp,gas	500.50	J/mol×K	757.67	Calculated Property
Cp,gas	528.61	J/mol×K	838.44	Calculated Property
Cp,gas	552.70	J/mol×K	919.22	Calculated Property
Cp,gas	572.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046878; 0.0001942]	Pa×s	[231.92; 447.13]	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			-1.19773e+01
Coefficient B			1.53404e+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.			231.92
Temperature range, max.			447.13
η	0.0046878	Pa×s	231.92	Calculated Property
η	0.0025262	Pa×s	255.83	Calculated Property
η	0.0015131	Pa×s	279.74	Calculated Property
η	0.0009825	Pa×s	303.66	Calculated Property
η	0.0006795	Pa×s	327.57	Calculated Property
η	0.0004941	Pa×s	351.48	Calculated Property
η	0.0003742	Pa×s	375.39	Calculated Property
η	0.0002929	Pa×s	399.31	Calculated Property
η	0.0002358	Pa×s	423.22	Calculated Property
η	0.0001942	Pa×s	447.13	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.62]	kPa	[303.15; 461.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.21214e+01
Coefficient B			-8.38283e+03
Coefficient C			-8.22314e+00
Coefficient D			5.20306e-06
Coefficient E			0.00000e+00
Temperature range, min.			303.15
Temperature range, max.			461.15
Pvap	0.13	kPa	303.15	Calculated Property
Pvap	0.39	kPa	320.71	Calculated Property
Pvap	1.05	kPa	338.26	Calculated Property
Pvap	2.50	kPa	355.82	Calculated Property
Pvap	5.44	kPa	373.37	Calculated Property
Pvap	10.95	kPa	390.93	Calculated Property
Pvap	20.63	kPa	408.48	Calculated Property
Pvap	36.69	kPa	426.04	Calculated Property
Pvap	62.08	kPa	443.59	Calculated Property
Pvap	100.62	kPa	461.15	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,1'-[ethylidenebis(oxy)]bis-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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