Chemical Properties of 1-Propanol, 3-ethoxy- (CAS 111-35-3)

InChI

InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3

InChI Key

XHMWPVBQGARKQM-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

CCOCCCO

Molecular Weight¹

104.15

CAS

111-35-3

Other Names

• 3-Ethoxy-1-propanol
• 3-Ethoxypropanol
• 3-ethoxypropane-1-ol
• Dowanol peat
• Propanol, 3-ethoxy
• Propylene glycol monoethyl ether, «beta»
• Propylene glycol «beta»-monoethyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6337		Relay (1.0) Calculated Property
ΔfG°	-250.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-446.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.98	kJ/mol	Joback Calculated Property
ΔvapH°	60.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	0.43		Relay (1.0) Calculated Property
logPoct/wat	-0.588		NCMS SOLV-DB
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	3796.32	kPa	Joback Calculated Property
Inp	[783.00; 816.00]
Inp	783.00		NIST
Inp	792.00		NIST
Inp	816.00		NIST
Inp	816.00		NIST
Inp	783.00		NIST
Ip	[1359.00; 1409.00]
Ip	1369.00		NIST
Ip	1383.00		NIST
Ip	1364.00		NIST
Ip	1370.00		NIST
Ip	1376.00		NIST
Ip	1377.00		NIST
Ip	1377.00		NIST
Ip	1364.00		NIST
Ip	1364.00		NIST
Ip	1359.00		NIST
Ip	1364.00		NIST
Ip	1378.00		NIST
Ip	1369.00		NIST
Ip	1389.00		NIST
Ip	1364.00		NIST
Ip	1371.00		NIST
Ip	1379.00		NIST
Ip	1390.00		NIST
Ip	Outlier 1409.00		NIST
Ip	1375.00		NIST
Ip	1375.00		NIST
Ip	1376.00		NIST
Ip	1363.00		NIST
Ip	1383.00		NIST
Ip	1364.00		NIST
Ip	1375.00		NIST
Tboil	[433.15; 433.70]	K
Tboil	433.70	K	NIST
Tboil	433.15 ± 3.00	K	NIST
Tc	612.37	K	Relay (1.0) Calculated Property
Tfus	433.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.340	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.46; 314.45]	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			2.91340e+01
Coefficient B			4.49620e-01
Coefficient C			-1.67600e-04
Coefficient D			3.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.46	J/mol×K	273.00	Calculated Property
Cp,gas	167.37	J/mol×K	353.78	Calculated Property
Cp,gas	193.14	J/mol×K	434.56	Calculated Property
Cp,gas	216.78	J/mol×K	515.33	Calculated Property
Cp,gas	238.30	J/mol×K	596.11	Calculated Property
Cp,gas	257.71	J/mol×K	676.89	Calculated Property
Cp,gas	275.02	J/mol×K	757.67	Calculated Property
Cp,gas	290.24	J/mol×K	838.44	Calculated Property
Cp,gas	303.38	J/mol×K	919.22	Calculated Property
Cp,gas	314.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[333.06; 457.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62947e+01
Coefficient B			-4.34338e+03
Coefficient C			-6.17190e+01
Temperature range, min.			333.06
Temperature range, max.			457.18
Pvap	1.33	kPa	333.06	Calculated Property
Pvap	2.89	kPa	346.85	Calculated Property
Pvap	5.84	kPa	360.64	Calculated Property
Pvap	11.08	kPa	374.43	Calculated Property
Pvap	19.93	kPa	388.22	Calculated Property
Pvap	34.16	kPa	402.02	Calculated Property
Pvap	56.16	kPa	415.81	Calculated Property
Pvap	88.95	kPa	429.60	Calculated Property
Pvap	136.28	kPa	443.39	Calculated Property
Pvap	202.67	kPa	457.18	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 3-ethoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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