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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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	0.6337		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	0.405		Crippen Calculated Property
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
I	[1359.00; 1409.00]
I	1369.00		NIST
I	1383.00		NIST
I	1364.00		NIST
I	1370.00		NIST
I	1376.00		NIST
I	1377.00		NIST
I	1377.00		NIST
I	1364.00		NIST
I	1364.00		NIST
I	1359.00		NIST
I	1364.00		NIST
I	1378.00		NIST
I	1369.00		NIST
I	1389.00		NIST
I	1364.00		NIST
I	1371.00		NIST
I	1379.00		NIST
I	1390.00		NIST
I	Outlier 1409.00		NIST
I	1375.00		NIST
I	1375.00		NIST
I	1376.00		NIST
I	1363.00		NIST
I	1383.00		NIST
I	1364.00		NIST
I	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	214.73	K	Relay (1.0) Calculated Property
Vc	0.340	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.31; 236.91]	J/mol×K	[428.60; 590.63]
Cp,gas	191.31	J/mol×K	428.60	Joback Calculated Property
Cp,gas	199.51	J/mol×K	455.61	Joback Calculated Property
Cp,gas	207.46	J/mol×K	482.61	Joback Calculated Property
Cp,gas	215.18	J/mol×K	509.62	Joback Calculated Property
Cp,gas	222.66	J/mol×K	536.62	Joback Calculated Property
Cp,gas	229.90	J/mol×K	563.63	Joback Calculated Property
Cp,gas	236.91	J/mol×K	590.63	Joback Calculated Property
η	[0.0002261; 0.0464966]	Pa×s	[229.16; 428.60]
η	0.0464966	Pa×s	229.16	Joback Calculated Property
η	0.0109076	Pa×s	262.40	Joback Calculated Property
η	0.0035452	Pa×s	295.64	Joback Calculated Property
η	0.0014461	Pa×s	328.88	Joback Calculated Property
η	0.0006955	Pa×s	362.12	Joback Calculated Property
η	0.0003783	Pa×s	395.36	Joback Calculated Property
η	0.0002261	Pa×s	428.60	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[333.06; 457.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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