Chemical Properties of Pentane, 1-ethoxy- (CAS 17952-11-3)

InChI

InChI=1S/C7H16O/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3

InChI Key

VDMXPMYSWFDBJB-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CCCCCOCC

Molecular Weight¹

116.20

CAS

17952-11-3

Other Names

• 1-ethoxy-pentane
• Amyl ethyl ether
• Ether, ethyl pentyl
• Ethyl amyl ether
• Ethyl pentyl ether
• n-C5H11OC2H5

• 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).
• 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.
• 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	0.4205		Relay (1.0) Calculated Property
ΔfG°	-96.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.07	kJ/mol	Joback Calculated Property
ΔvapH°	41.06	kJ/mol	NIST
IE	9.49	eV	NIST
log10WS	-1.93		Relay (1.0) Calculated Property
logPoct/wat	2.213		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	2749.78	kPa	Joback Calculated Property
Inp	[742.00; 788.00]
Inp	742.00		NIST
Inp	751.00		NIST
Inp	788.00		NIST
Inp	769.50		NIST
Inp	774.70		NIST
Tboil	[390.70; 392.70]	K
Tboil	392.70	K	NIST
Tboil	390.70	K	NIST
Tc	562.67	K	Relay (1.0) Calculated Property
Tfus	185.82	K	Relay (1.0) Calculated Property
Vc	0.444	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.38; 398.96]	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			2.20250e+01
Coefficient B			6.05640e-01
Coefficient C			-2.46000e-04
Coefficient D			1.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.38	J/mol×K	273.00	Calculated Property
Cp,gas	206.26	J/mol×K	353.78	Calculated Property
Cp,gas	240.17	J/mol×K	434.56	Calculated Property
Cp,gas	271.17	J/mol×K	515.33	Calculated Property
Cp,gas	299.30	J/mol×K	596.11	Calculated Property
Cp,gas	324.63	J/mol×K	676.89	Calculated Property
Cp,gas	347.20	J/mol×K	757.67	Calculated Property
Cp,gas	367.08	J/mol×K	838.44	Calculated Property
Cp,gas	384.32	J/mol×K	919.22	Calculated Property
Cp,gas	398.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039006; 0.0002220]	Pa×s	[190.88; 382.64]	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			-1.12657e+01
Coefficient B			1.09165e+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.			190.88
Temperature range, max.			382.64
η	0.0039006	Pa×s	190.88	Calculated Property
η	0.0021965	Pa×s	212.19	Calculated Property
η	0.0013735	Pa×s	233.49	Calculated Property
η	0.0009291	Pa×s	254.80	Calculated Property
η	0.0006675	Pa×s	276.11	Calculated Property
η	0.0005029	Pa×s	297.41	Calculated Property
η	0.0003935	Pa×s	318.72	Calculated Property
η	0.0003175	Pa×s	340.03	Calculated Property
η	0.0002627	Pa×s	361.33	Calculated Property
η	0.0002220	Pa×s	382.64	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[293.00; 416.78]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51833e+01
Coefficient B			-3.62296e+03
Coefficient C			-4.97780e+01
Temperature range, min.			293.00
Temperature range, max.			416.78
Pvap	1.33	kPa	293.00	Calculated Property
Pvap	2.96	kPa	306.75	Calculated Property
Pvap	6.06	kPa	320.51	Calculated Property
Pvap	11.57	kPa	334.26	Calculated Property
Pvap	20.81	kPa	348.01	Calculated Property
Pvap	35.55	kPa	361.77	Calculated Property
Pvap	58.04	kPa	375.52	Calculated Property
Pvap	91.08	kPa	389.27	Calculated Property
Pvap	137.99	kPa	403.03	Calculated Property
Pvap	202.66	kPa	416.78	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 1-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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