Chemical Properties of Pentane, 1-(1-ethoxyethoxy)- (CAS 13442-89-2)

InChI

InChI=1S/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3

InChI Key

QMLYOIJQQWWNKE-UHFFFAOYSA-N

Formula

C9H20O2

SMILES

CCCCCOC(C)OCC

Molecular Weight¹

160.25

CAS

13442-89-2

Other Names

• Acetaldehyde ethyl amyl acetal
• 1-(1-Ethoxyethoxy)pentane
• 4-Methyl-3,50dioxadecane
• 1-(1-ethoxyethoxy)pentane (acetaldehyde ethylamyl acetal)

• 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_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	0.4939		Relay (1.0) Calculated Property
ΔfH°gas	-531.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.92	kJ/mol	Joback Calculated Property
ΔvapH°	50.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-2.04		Relay (1.0) Calculated Property
logPoct/wat	2.576		Crippen Calculated Property
McVol	149.410	ml/mol	McGowan Calculated Property
Pc	2250.40	kPa	Joback Calculated Property
Inp	[966.20; 977.00]
Inp	966.20		NIST
Inp	977.00		NIST
Inp	966.20		NIST
Inp	977.00		NIST
I	[1091.00; 1109.00]
I	1091.00		NIST
I	1109.00		NIST
I	1104.00		NIST
I	1091.00		NIST
I	1109.00		NIST
I	1104.00		NIST
Tboil	422.58	K	Relay (1.0) Calculated Property
Tc	593.55	K	Relay (1.0) Calculated Property
Tfus	189.71	K	Relay (1.0) Calculated Property
Vc	0.580	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	[226.90; 521.19]	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			4.40250e+01
Coefficient B			7.38360e-01
Coefficient C			-2.47000e-04
Coefficient D			-1.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.90	J/mol×K	273.00	Calculated Property
Cp,gas	273.70	J/mol×K	353.78	Calculated Property
Cp,gas	317.08	J/mol×K	434.56	Calculated Property
Cp,gas	356.99	J/mol×K	515.33	Calculated Property
Cp,gas	393.39	J/mol×K	596.11	Calculated Property
Cp,gas	426.24	J/mol×K	676.89	Calculated Property
Cp,gas	455.49	J/mol×K	757.67	Calculated Property
Cp,gas	481.09	J/mol×K	838.44	Calculated Property
Cp,gas	503.01	J/mol×K	919.22	Calculated Property
Cp,gas	521.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048122; 0.0001979]	Pa×s	[220.65; 431.80]	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			-1.18622e+01
Coefficient B			1.43988e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			220.65
Temperature range, max.			431.80
η	0.0048122	Pa×s	220.65	Calculated Property
η	0.0025702	Pa×s	244.11	Calculated Property
η	0.0015323	Pa×s	267.57	Calculated Property
η	0.0009930	Pa×s	291.03	Calculated Property
η	0.0006865	Pa×s	314.50	Calculated Property
η	0.0004996	Pa×s	337.96	Calculated Property
η	0.0003789	Pa×s	361.42	Calculated Property
η	0.0002972	Pa×s	384.88	Calculated Property
η	0.0002397	Pa×s	408.34	Calculated Property
η	0.0001979	Pa×s	431.80	Calculated Property

Similar Compounds

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

Sources

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

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