Chemical Properties of Hexane, 1-(1-ethoxyethoxy)- (CAS 54484-73-0)

InChI

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

InChI Key

YJYLJPSYBMNHTG-UHFFFAOYSA-N

Formula

C10H22O2

SMILES

CCCCCCOC(C)OCC

Molecular Weight¹

174.28

CAS

54484-73-0

Other Names

• 1-(1-Ethoxyethoxy)hexane
• 1-Ethoxy-1-hexyloxyethane
• Acetaldehyde ethyl hexyl acetal
• Ethyl hexyl acetal
• Lilivert

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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 : 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	0.5364		Relay (1.0) Calculated Property
ΔfH°gas	-550.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.51	kJ/mol	Joback Calculated Property
ΔvapH°	55.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-2.62		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
I	[1251.00; 1258.00]
I	1258.00		NIST
I	1251.00		NIST
I	1258.00		NIST
Tboil	442.35	K	Relay (1.0) Calculated Property
Tc	612.24	K	Relay (1.0) Calculated Property
Tfus	197.71	K	Relay (1.0) Calculated Property
Vc	0.637	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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
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

Similar Compounds

Find more compounds similar to Hexane, 1-(1-ethoxyethoxy)-.

Sources

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

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