Chemical Properties of Ethanol, 2-(1-methylethoxy)- (CAS 109-59-1)

InChI

InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3

InChI Key

HCGFUIQPSOCUHI-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

CC(C)OCCO

Molecular Weight¹

104.15

CAS

109-59-1

Other Names

• 2-Isopropoxyethanol
• 2-[(1-Methylethyl)oxy]ethanol
• 4-Methyl-3-oxa-1-pentanol
• Dowanal EiPAT
• Dowanol EiPAT
• Ethanol, 2-isopropoxy-
• Ethylene glycol isopropyl ether
• Ethylene glycol monisopropyl ether
• Ethylene glycol monoisopropyl
• Ethylene glycol monoisopropyl ether
• Isopropyl Cellosolve
• Isopropyl Oxitol
• Isopropyl glycol
• Monoisopropyl ether of ethylene glycol
• NSC 1259
• Ucar AC
• «beta»-Hydroxyethyl isopropyl ether
• «beta»-Hydroxyethyl isopropyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Pressure Dependent Properties
4. Datasets
5. Correlations
6. Similar Compounds
7. Mixtures
8. Sources

Physical Properties

Property	Value	Unit	Source
ω	0.6024		Relay (1.0) Calculated Property
ΔfG°	-253.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-458.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.46	kJ/mol	Joback Calculated Property
ΔvapH°	[50.10; 50.14]	kJ/mol
ΔvapH°	50.14	kJ/mol	NIST
ΔvapH°	50.10 ± 0.10	kJ/mol	NIST
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	0.48		Relay (1.0) Calculated Property
logPoct/wat	0.404		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	3834.03	kPa	Joback Calculated Property
Inp	768.00		NIST
Tboil	414.70	K	NIST
Tc	585.48	K	Relay (1.0) Calculated Property
Tfus	203.44	K	Relay (1.0) Calculated Property
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.34; 238.21]	J/mol×K	[427.96; 593.40]
Cp,gas	191.34	J/mol×K	427.96	Joback Calculated Property
Cp,gas	199.79	J/mol×K	455.53	Joback Calculated Property
Cp,gas	207.98	J/mol×K	483.11	Joback Calculated Property
Cp,gas	215.92	J/mol×K	510.68	Joback Calculated Property
Cp,gas	223.60	J/mol×K	538.25	Joback Calculated Property
Cp,gas	231.03	J/mol×K	565.83	Joback Calculated Property
Cp,gas	238.21	J/mol×K	593.40	Joback Calculated Property
Cp,liquid	238.80	J/mol×K	298.15	NIST
η	[0.0002180; 0.1081645]	Pa×s	[214.16; 427.96]
η	0.1081645	Pa×s	214.16	Joback Calculated Property
η	0.0183815	Pa×s	249.79	Joback Calculated Property
η	0.0048625	Pa×s	285.43	Joback Calculated Property
η	0.0017280	Pa×s	321.06	Joback Calculated Property
η	0.0007551	Pa×s	356.69	Joback Calculated Property
η	0.0003835	Pa×s	392.33	Joback Calculated Property
η	0.0002180	Pa×s	427.96	Joback Calculated Property
ΔvapH	[40.42; 45.10]	kJ/mol	[377.00; 414.70]
ΔvapH	45.10	kJ/mol	377.00	NIST
ΔvapH	40.42	kJ/mol	414.70	NIST
Pvap	[60.00; 100.00]	kPa	[398.12; 414.21]
Pvap	60.00	kPa	398.12	Isobaric vapor liquid equilibria for the n-hexane + 2-isopropoxyethanol and n-heptane + 2-isopropoxyethanol systems
Pvap	80.00	kPa	407.13	Isobaric vapor liquid equilibria for the n-hexane + 2-isopropoxyethanol and n-heptane + 2-isopropoxyethanol systems
Pvap	100.00	kPa	414.21	Isobaric vapor liquid equilibria for the n-hexane + 2-isopropoxyethanol and n-heptane + 2-isopropoxyethanol systems
n0	1.40790		298.15	Density, Speed of Sound, and Refractive Index of Aqueous Binary Mixtures of Some Glycol Ethers at T = 298.15 K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[316.20; 417.20]	K	[1.70; 99.10]
Tboilr	316.20	K	1.70	NIST
Tboilr	417.20	K	99.10	NIST

Datasets

1. Viscosity, Pa*s (1)
2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
293.15	20000.00	0.0029
293.15	40000.00	0.0035
293.15	60000.00	0.0041
293.15	80000.00	0.0047
293.15	100000.00	0.0052
303.15	20000.00	0.0023
303.15	40000.00	0.0027
303.15	60000.00	0.0031
303.15	80000.00	0.0036
303.15	100000.00	0.0040
313.15	20000.00	0.0019
313.15	40000.00	0.0022
313.15	60000.00	0.0025
313.15	80000.00	0.0028
313.15	100000.00	0.0032
323.15	20000.00	0.0015
323.15	40000.00	0.0017
323.15	60000.00	0.0020
323.15	80000.00	0.0023
323.15	100000.00	0.0026
333.15	20000.00	0.0013
333.15	40000.00	0.0015
333.15	60000.00	0.0017
333.15	80000.00	0.0020
333.15	100000.00	0.0022
343.15	20000.00	0.0010
343.15	40000.00	0.0012
343.15	60000.00	0.0014
343.15	80000.00	0.0017
343.15	100000.00	0.0019
353.15	20000.00	0.0009
353.15	40000.00	0.0011
353.15	60000.00	0.0012
353.15	80000.00	0.0014
353.15	100000.00	0.0015
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	904.0
293.15	5000.00	907.3
293.15	10000.00	910.8
293.15	15000.00	914.1
293.15	20000.00	917.3
293.15	25000.00	920.4
293.15	30000.00	923.6
293.15	35000.00	926.4
293.15	40000.00	929.2
293.15	45000.00	932.0
293.15	50000.00	934.5
293.15	55000.00	937.1
293.15	60000.00	939.6
303.15	100.00	895.0
303.15	5000.00	898.4
303.15	10000.00	902.1
303.15	15000.00	905.5
303.15	20000.00	908.8
303.15	25000.00	912.1
303.15	30000.00	915.2
303.15	35000.00	918.2
303.15	40000.00	921.2
303.15	45000.00	924.0
303.15	50000.00	927.0
303.15	55000.00	929.7
303.15	60000.00	932.1
313.15	100.00	885.5
313.15	5000.00	889.2
313.15	10000.00	893.2
313.15	15000.00	896.9
313.15	20000.00	900.4
313.15	25000.00	903.7
313.15	30000.00	907.2
313.15	35000.00	910.2
313.15	40000.00	913.3
313.15	45000.00	916.2
313.15	50000.00	919.1
313.15	55000.00	921.9
313.15	60000.00	924.8
323.15	100.00	875.9
323.15	5000.00	880.1
323.15	10000.00	884.3
323.15	15000.00	888.2
323.15	20000.00	891.9
323.15	25000.00	895.4
323.15	30000.00	899.0
323.15	35000.00	902.3
323.15	40000.00	905.4
323.15	45000.00	908.5
323.15	50000.00	911.4
323.15	55000.00	914.5
323.15	60000.00	917.3
333.15	100.00	866.4
333.15	5000.00	871.0
333.15	10000.00	875.2
333.15	15000.00	879.4
333.15	20000.00	883.3
333.15	25000.00	887.0
333.15	30000.00	890.7
333.15	35000.00	894.2
333.15	40000.00	897.4
333.15	45000.00	900.7
333.15	50000.00	903.6
333.15	55000.00	906.9
333.15	60000.00	910.0
343.15	100.00	856.8
343.15	5000.00	861.5
343.15	10000.00	866.1
343.15	15000.00	870.5
343.15	20000.00	874.7
343.15	25000.00	878.6
343.15	30000.00	882.5
343.15	35000.00	886.1
343.15	40000.00	889.5
343.15	45000.00	893.1
343.15	50000.00	896.4
343.15	55000.00	899.4
343.15	60000.00	902.5
353.15	100.00	846.8
353.15	5000.00	851.9
353.15	10000.00	856.7
353.15	15000.00	861.6
353.15	20000.00	865.8
353.15	25000.00	870.0
353.15	30000.00	874.1
353.15	35000.00	877.8
353.15	40000.00	881.6
353.15	45000.00	885.2
353.15	50000.00	888.3
353.15	55000.00	891.7
353.15	60000.00	894.9
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[320.62; 436.38]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.67352e+01
Coefficient B			-4.32941e+03
Coefficient C			-5.73960e+01
Temperature range, min.			320.62
Temperature range, max.			436.38
Pvap	1.33	kPa	320.62	Calculated Property
Pvap	2.87	kPa	333.48	Calculated Property
Pvap	5.77	kPa	346.34	Calculated Property
Pvap	10.92	kPa	359.21	Calculated Property
Pvap	19.62	kPa	372.07	Calculated Property
Pvap	33.68	kPa	384.93	Calculated Property
Pvap	55.51	kPa	397.79	Calculated Property
Pvap	88.20	kPa	410.66	Calculated Property
Pvap	135.66	kPa	423.52	Calculated Property
Pvap	202.65	kPa	436.38	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-(1-methylethoxy)-.

Mixtures

• n-Hexane + Ethanol, 2-(1-methylethoxy)-
• Heptane + Ethanol, 2-(1-methylethoxy)-
• Ethanol, 2-(1-methylethoxy)- + Water
• Carbon dioxide + Ethanol, 2-(1-methylethoxy)-
• Methanone, (2,4-dihydroxyphenyl)phenyl- + Ethanol, 2-(1-methylethoxy)-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Influence of the molecular structure on the viscosity of some alkoxyethanols
• Isobaric vapor liquid equilibria for the n-hexane + 2-isopropoxyethanol and n-heptane + 2-isopropoxyethanol systems
• A (vapor + liquid) equilibria of the {carbon dioxide + isopropoxyethanol (iC3E1)} and the {carbon dioxide + isobutoxyethanol (iC4E1)} systems
• High-Pressure Volumetric Properties of Three Monoethylene Glycol Alkyl Ethers
• Deduction of Physicochemical Properties from Solubilities: 2,4-Dihydroxybenzophenone, Biotin, and Caprolactam as Examples
• Density, Speed of Sound, and Refractive Index of Aqueous Binary Mixtures of Some Glycol Ethers at T = 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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