Chemical Properties of 2-(isobutyl-3-methylbutoxy)ethanol (CAS 10086-50-7)

InChI

InChI=1S/C11H24O2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h9-12H,5-8H2,1-4H3

InChI Key

GDFYQZHRZFIDNT-UHFFFAOYSA-N

Formula

C11H24O2

SMILES

CC(C)CCOC(CO)CC(C)C

Molecular Weight¹

188.31

CAS

10086-50-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.80; 625.61]	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			1.86340e+01
Coefficient B			1.03738e+00
Coefficient C			-5.03600e-04
Coefficient D			7.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.80	J/mol×K	273.00	Calculated Property
Cp,gas	325.85	J/mol×K	353.78	Calculated Property
Cp,gas	380.34	J/mol×K	434.56	Calculated Property
Cp,gas	429.51	J/mol×K	515.33	Calculated Property
Cp,gas	473.58	J/mol×K	596.11	Calculated Property
Cp,gas	512.79	J/mol×K	676.89	Calculated Property
Cp,gas	547.36	J/mol×K	757.67	Calculated Property
Cp,gas	577.54	J/mol×K	838.44	Calculated Property
Cp,gas	603.55	J/mol×K	919.22	Calculated Property
Cp,gas	625.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0901841; 0.0001157]	Pa×s	[251.78; 511.55]	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			-1.55179e+01
Coefficient B			3.30134e+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.			251.78
Temperature range, max.			511.55
η	0.0901841	Pa×s	251.78	Calculated Property
η	0.0234137	Pa×s	280.64	Calculated Property
η	0.0078170	Pa×s	309.51	Calculated Property
η	0.0031470	Pa×s	338.37	Calculated Property
η	0.0014617	Pa×s	367.23	Calculated Property
η	0.0007592	Pa×s	396.10	Calculated Property
η	0.0004310	Pa×s	424.96	Calculated Property
η	0.0002630	Pa×s	453.82	Calculated Property
η	0.0001702	Pa×s	482.69	Calculated Property
η	0.0001157	Pa×s	511.55	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[428.82; 554.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.86993e+01
Coefficient B			-6.14570e+03
Coefficient C			-9.50310e+01
Temperature range, min.			428.82
Temperature range, max.			554.08
Pvap	1.33	kPa	428.82	Calculated Property
Pvap	2.79	kPa	442.74	Calculated Property
Pvap	5.50	kPa	456.66	Calculated Property
Pvap	10.32	kPa	470.57	Calculated Property
Pvap	18.53	kPa	484.49	Calculated Property
Pvap	31.94	kPa	498.41	Calculated Property
Pvap	53.08	kPa	512.33	Calculated Property
Pvap	85.39	kPa	526.24	Calculated Property
Pvap	133.33	kPa	540.16	Calculated Property
Pvap	202.64	kPa	554.08	Calculated Property

Similar Compounds

Find more compounds similar to 2-(isobutyl-3-methylbutoxy)ethanol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• The Yaws Handbook of Vapor Pressure

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