Chemical Properties of 1-(1-ethoxyethoxy)-3-methylbutane (CAS 13442-90-5)

InChI

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

InChI Key

UAQAIBRIVMSXFM-UHFFFAOYSA-N

Formula

C9H20O2

SMILES

CCOCCOCCC(C)C

Molecular Weight¹

160.25

CAS

13442-90-5

• 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).
• 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	0.5140		Relay (1.0) Calculated Property
ΔfG°	-187.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-488.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.92	kJ/mol	Joback Calculated Property
ΔvapH°	52.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-1.90		Relay (1.0) Calculated Property
logPoct/wat	2.086		Crippen Calculated Property
McVol	149.410	ml/mol	McGowan Calculated Property
Pc	2250.40	kPa	Joback Calculated Property
I	[1107.00; 1107.00]
I	1107.00		NIST
I	1107.00		NIST
Tboil	445.40	K	Relay (1.0) Calculated Property
Tc	617.20	K	Relay (1.0) Calculated Property
Tfus	193.25	K	Relay (1.0) Calculated Property
Vc	0.562	m3/kmol	Relay (1.0) Calculated Property

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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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 1-(1-ethoxyethoxy)-3-methylbutane.

Sources

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

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