Chemical Properties of 2-ISOBUTOXYETHANOL (CAS 4439-24-1)

InChI

InChI=1S/C6H14O2/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3

InChI Key

HHAPGMVKBLELOE-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CC(C)COCCO

Molecular Weight¹

118.18

CAS

4439-24-1

Other Names

• 2-(2-methylpropoxy)ethanol
• Ektasolve eib
• Ethanol, 2-(2-methylpropoxy)-
• Ethanol, 2-isobutoxy-
• ethylene glycol monoisobutyl ether
• isobutyl cellosolve

• 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).
• 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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-463.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.05	kJ/mol	Joback Calculated Property
ΔvapH°	53.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-0.24		Relay (1.0) Calculated Property
logPoct/wat	0.651		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Pc	3415.86	kPa	Joback Calculated Property
Inp	[878.00; 927.00]
Inp	927.00		NIST
Inp	878.00		NIST
Ip	1400.00		NIST
Tboil	433.15	K	NIST
Tc	630.65	K	Relay (1.0) Calculated Property
Tfus	193.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.36; 366.58]	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			2.65430e+01
Coefficient B			5.50540e-01
Coefficient C			-2.25200e-04
Coefficient D			1.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.36	J/mol×K	273.00	Calculated Property
Cp,gas	193.78	J/mol×K	353.78	Calculated Property
Cp,gas	224.46	J/mol×K	434.56	Calculated Property
Cp,gas	252.46	J/mol×K	515.33	Calculated Property
Cp,gas	277.82	J/mol×K	596.11	Calculated Property
Cp,gas	300.57	J/mol×K	676.89	Calculated Property
Cp,gas	320.78	J/mol×K	757.67	Calculated Property
Cp,gas	338.49	J/mol×K	838.44	Calculated Property
Cp,gas	353.74	J/mol×K	919.22	Calculated Property
Cp,gas	366.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0820702; 0.0002414]	Pa×s	[225.43; 431.01]	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			-1.47208e+01
Coefficient B			2.75490e+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.			225.43
Temperature range, max.			431.01
η	0.0820702	Pa×s	225.43	Calculated Property
η	0.0266616	Pa×s	248.27	Calculated Property
η	0.0104681	Pa×s	271.11	Calculated Property
η	0.0047528	Pa×s	293.96	Calculated Property
η	0.0024181	Pa×s	316.80	Calculated Property
η	0.0013474	Pa×s	339.64	Calculated Property
η	0.0008082	Pa×s	362.48	Calculated Property
η	0.0005150	Pa×s	385.32	Calculated Property
η	0.0003452	Pa×s	408.17	Calculated Property
η	0.0002414	Pa×s	431.01	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[332.62; 456.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62951e+01
Coefficient B			-4.33890e+03
Coefficient C			-6.15660e+01
Temperature range, min.			332.62
Temperature range, max.			456.60
Pvap	1.33	kPa	332.62	Calculated Property
Pvap	2.89	kPa	346.40	Calculated Property
Pvap	5.84	kPa	360.17	Calculated Property
Pvap	11.08	kPa	373.95	Calculated Property
Pvap	19.92	kPa	387.72	Calculated Property
Pvap	34.16	kPa	401.50	Calculated Property
Pvap	56.16	kPa	415.27	Calculated Property
Pvap	88.94	kPa	429.05	Calculated Property
Pvap	136.27	kPa	442.82	Calculated Property
Pvap	202.65	kPa	456.60	Calculated Property
Pvap	[3.48; 98.69]	kPa	[344.50; 432.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55030e+01
Coefficient B			-4.06841e+03
Coefficient C			-5.91280e+01
Reference			Dykyj, Seprakova, et al., 1957, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			344.50
Temperature range, max.			432.00
Pvap	3.48	kPa	344.50	Calculated Property
Pvap	5.56	kPa	354.22	Calculated Property
Pvap	8.64	kPa	363.94	Calculated Property
Pvap	13.05	kPa	373.67	Calculated Property
Pvap	19.23	kPa	383.39	Calculated Property
Pvap	27.70	kPa	393.11	Calculated Property
Pvap	39.10	kPa	402.83	Calculated Property
Pvap	54.15	kPa	412.56	Calculated Property
Pvap	73.69	kPa	422.28	Calculated Property
Pvap	98.69	kPa	432.00	Calculated Property
Pvap	[3.48; 98.69]	kPa	[344.50; 432.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55030e+01
Coefficient B			-4.06841e+03
Coefficient C			-5.91280e+01
Reference			Dykyj, Seprakova, et al., 1957
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			344.50
Temperature range, max.			432.00
Pvap	3.48	kPa	344.50	Calculated Property
Pvap	5.56	kPa	354.22	Calculated Property
Pvap	8.64	kPa	363.94	Calculated Property
Pvap	13.05	kPa	373.67	Calculated Property
Pvap	19.23	kPa	383.39	Calculated Property
Pvap	27.70	kPa	393.11	Calculated Property
Pvap	39.10	kPa	402.83	Calculated Property
Pvap	54.15	kPa	412.56	Calculated Property
Pvap	73.69	kPa	422.28	Calculated Property
Pvap	98.69	kPa	432.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-ISOBUTOXYETHANOL.

Mixtures

• Carbon dioxide + 2-ISOBUTOXYETHANOL
• 2-ISOBUTOXYETHANOL + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• A (vapor + liquid) equilibria of the {carbon dioxide + isopropoxyethanol (iC3E1)} and the {carbon dioxide + isobutoxyethanol (iC4E1)} systems
• Group-contribution to limiting partial molar isentropic compressions of small amphiphile molecules in water. The temperature effect
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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