Chemical Properties of n-Amyl ether (CAS 693-65-2)

InChI

InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3

InChI Key

AOPDRZXCEAKHHW-UHFFFAOYSA-N

Formula

C10H22O

SMILES

CCCCCOCCCCC

Molecular Weight¹

158.28

CAS

693-65-2

Other Names

• (n-C5H11)2O
• 1,1'-OXYBISPENTANE
• 1-(Pentyloxy)pentane
• 1-pentoxypentane
• 6-oxaundecane
• DI-N-AMYLETHER
• Di-n-amyl ether
• Di-n-pentyl ether
• Ether, di-n-pentyl-
• NSC 6571
• Pentyloxypentane
• amyl ether
• diamyl ether
• dipentyl ether
• n-Pentyl ether
• pentane, 1,1'-oxybis-
• pentyl ether

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• ε_r : Dielectric Constant (Relative permittivity).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• 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.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.5315		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff	852.70	kJ/mol	NIST
Tig	443.15	K	NCMS SOLV-DB
BasG	[818.40; 825.30]	kJ/mol
BasG	825.30	kJ/mol	NIST
BasG	818.40 ± 0.70	kJ/mol	NIST
BasG	819.00	kJ/mol	NIST
BasG	819.00	kJ/mol	NIST
BasG	819.00	kJ/mol	NIST
ΔcH°liquid	-6644.00 ± 3.00	kJ/mol	NIST
εr	2.77		NCMS SOLV-DB
Tflash,cc	330.15	K	NCMS SOLV-DB
ΔfG°	-71.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-390.00	kJ/mol	NIST
ΔfH°liquid	-435.20 ± 3.00	kJ/mol	NIST
ΔfusH°	22.84	kJ/mol	Joback Calculated Property
ΔvapH°	54.81	kJ/mol	NCMS SOLV-DB
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-3.60		Relay (1.0) Calculated Property
logPoct/wat	4.044		NCMS SOLV-DB
McVol	157.630	ml/mol	McGowan Calculated Property
NFPA Fire	2		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	1996.10	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[1051.00; 1077.00]
Inp	1051.00		NIST
Inp	1076.00		NIST
Inp	1056.00		NIST
Inp	1059.00		NIST
Inp	1058.00		NIST
Inp	1070.00		NIST
Inp	1052.00		NIST
Inp	1057.00		NIST
Inp	1069.70		NIST
Inp	1070.00		NIST
Inp	1068.00		NIST
Inp	1077.00		NIST
Inp	1076.00		NIST
Inp	1065.00		NIST
Inp	1052.00		NIST
Inp	1069.70		NIST
Ip	[1161.00; 1173.00]
Ip	1165.00		NIST
Ip	1172.00		NIST
Ip	1173.00		NIST
Ip	1165.00		NIST
Ip	1161.00		NIST
Ip	1163.00		NIST
Tboil	[411.20; 460.70]	K
Tboil	460.65	K	KDB
Tboil	459.95	K	NCMS SOLV-DB
Tboil	460.70	K	NIST
Tboil	459.00	K	NIST
Tboil	459.90 ± 0.07	K	NIST
Tboil	460.65 ± 0.40	K	NIST
Tboil	Outlier 411.20 ± 0.20	K	NIST
Tc	627.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	[203.72; 204.15]	K
Tfus	204.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	203.75	K	NCMS SOLV-DB
Tfus	203.72 ± 0.05	K	NIST
Tfus	203.85 ± 0.40	K	NIST
Tfus	204.15 ± 0.20	K	NIST
Vc	0.611	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	0.0009220	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	[45.60; 46.20]	kJ/mol	[416.50; 451.50]
ΔvapH	46.20	kJ/mol	416.50	NIST
ΔvapH	45.60	kJ/mol	451.50	NIST
Pvap	0.08	kPa	298.15	NCMS SOLV-DB
n0	1.41000		298.15	NCMS SOLV-DB
ρl	[731.37; 779.10]	kg/m3	[298.15; 358.15]
ρl	778.96	kg/m3	298.15	Volumetric properties of (N,N-dimethylformamide + aliphatic diethers) at Temperatures ranging from (298.15 to 358.15) K
ρl	779.10	kg/m3	298.15	Excess molar enthalpies of binary mixtures containing 2-decanone or dipentyl ether with long-chain n-alkanes at T = 298.15 K
ρl	768.65	kg/m3	313.15	Volumetric properties of (N,N-dimethylformamide + aliphatic diethers) at Temperatures ranging from (298.15 to 358.15) K
ρl	756.32	kg/m3	328.15	Volumetric properties of (N,N-dimethylformamide + aliphatic diethers) at Temperatures ranging from (298.15 to 358.15) K
ρl	743.97	kg/m3	343.15	Volumetric properties of (N,N-dimethylformamide + aliphatic diethers) at Temperatures ranging from (298.15 to 358.15) K
ρl	731.37	kg/m3	358.15	Volumetric properties of (N,N-dimethylformamide + aliphatic diethers) at Temperatures ranging from (298.15 to 358.15) K
γ	0.02	N/m	298.15	NCMS SOLV-DB

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	100.00	790.99
288.15	100.00	786.98
293.15	100.00	782.96
298.15	100.00	778.94
303.15	100.00	774.9
308.15	100.00	770.87
313.15	100.00	766.82
318.15	100.00	762.76
323.15	100.00	758.69
328.15	100.00	754.6
333.15	100.00	750.51
283.15	5000.00	794.85
288.15	5000.00	790.95
293.15	5000.00	787.04
298.15	5000.00	783.12
303.15	5000.00	779.22
308.15	5000.00	775.29
313.15	5000.00	771.35
318.15	5000.00	767.42
323.15	5000.00	763.48
328.15	5000.00	759.51
333.15	5000.00	755.54
283.15	10000.00	798.47
288.15	10000.00	794.65
293.15	10000.00	790.83
298.15	10000.00	787.02
303.15	10000.00	783.2
308.15	10000.00	779.38
313.15	10000.00	775.57
318.15	10000.00	771.74
323.15	10000.00	767.94
328.15	10000.00	764.08
333.15	10000.00	760.26
283.15	15000.00	801.9
288.15	15000.00	798.17
293.15	15000.00	794.44
298.15	15000.00	790.73
303.15	15000.00	787.0
308.15	15000.00	783.28
313.15	15000.00	779.56
318.15	15000.00	775.84
323.15	15000.00	772.13
328.15	15000.00	768.39
333.15	15000.00	764.69
283.15	20000.00	805.2
288.15	20000.00	801.55
293.15	20000.00	797.91
298.15	20000.00	794.27
303.15	20000.00	790.65
308.15	20000.00	787.0
313.15	20000.00	783.37
318.15	20000.00	779.77
323.15	20000.00	776.12
328.15	20000.00	772.51
333.15	20000.00	768.87
283.15	25000.00	808.38
288.15	25000.00	804.81
293.15	25000.00	801.23
298.15	25000.00	797.69
303.15	25000.00	794.13
308.15	25000.00	790.57
313.15	25000.00	787.03
318.15	25000.00	783.5
323.15	25000.00	779.95
328.15	25000.00	776.42
333.15	25000.00	772.87
283.15	30000.00	811.47
288.15	30000.00	807.94
293.15	30000.00	804.44
298.15	30000.00	800.97
303.15	30000.00	797.48
308.15	30000.00	793.99
313.15	30000.00	790.53
318.15	30000.00	787.08
323.15	30000.00	783.62
328.15	30000.00	780.18
333.15	30000.00	776.68
283.15	35000.00	814.44
288.15	35000.00	810.97
293.15	35000.00	807.54
298.15	35000.00	804.13
303.15	35000.00	800.72
308.15	35000.00	797.3
313.15	35000.00	793.9
318.15	35000.00	790.52
323.15	35000.00	787.13
328.15	35000.00	783.75
333.15	35000.00	780.35
283.15	40000.00	817.31
288.15	40000.00	813.93
293.15	40000.00	810.53
298.15	40000.00	807.2
303.15	40000.00	803.84
308.15	40000.00	800.48
313.15	40000.00	797.15
318.15	40000.00	793.82
323.15	40000.00	790.51
328.15	40000.00	787.17
333.15	40000.00	783.87
283.15	45000.00	820.12
288.15	45000.00	816.78
293.15	45000.00	813.44
298.15	45000.00	810.16
303.15	45000.00	806.86
308.15	45000.00	803.56
313.15	45000.00	800.28
318.15	45000.00	797.02
323.15	45000.00	793.75
328.15	45000.00	790.5
333.15	45000.00	787.29
283.15	50000.00	822.84
288.15	50000.00	819.54
293.15	50000.00	816.26
298.15	50000.00	813.04
303.15	50000.00	809.78
308.15	50000.00	806.55
313.15	50000.00	803.33
318.15	50000.00	800.1
323.15	50000.00	796.9
328.15	50000.00	793.7
333.15	50000.00	790.54
283.15	55000.00	825.48
288.15	55000.00	822.24
293.15	55000.00	819.01
298.15	55000.00	815.82
303.15	55000.00	812.62
308.15	55000.00	809.43
313.15	55000.00	806.26
318.15	55000.00	803.09
323.15	55000.00	799.95
328.15	55000.00	796.82
333.15	55000.00	793.66
283.15	60000.00	828.06
288.15	60000.00	824.87
293.15	60000.00	821.67
298.15	60000.00	818.54
303.15	60000.00	815.39
308.15	60000.00	812.24
313.15	60000.00	809.11
318.15	60000.00	806.0
323.15	60000.00	802.89
328.15	60000.00	799.82
333.15	60000.00	796.72
283.15	65000.00	830.58
288.15	65000.00	827.41
293.15	65000.00	824.26
298.15	65000.00	821.19
303.15	65000.00	818.05
308.15	65000.00	814.95
313.15	65000.00	811.88
318.15	65000.00	808.83
323.15	65000.00	805.77
328.15	65000.00	802.72
333.15	65000.00	799.67
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.02; 553.74]	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			1.92980e+01
Coefficient B			8.90640e-01
Coefficient C			-4.09200e-04
Coefficient D			5.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.02	J/mol×K	273.00	Calculated Property
Cp,gas	285.52	J/mol×K	353.78	Calculated Property
Cp,gas	333.41	J/mol×K	434.56	Calculated Property
Cp,gas	376.86	J/mol×K	515.33	Calculated Property
Cp,gas	416.04	J/mol×K	596.11	Calculated Property
Cp,gas	451.11	J/mol×K	676.89	Calculated Property
Cp,gas	482.25	J/mol×K	757.67	Calculated Property
Cp,gas	509.63	J/mol×K	838.44	Calculated Property
Cp,gas	533.40	J/mol×K	919.22	Calculated Property
Cp,gas	553.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[348.32; 487.66]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53823e+01
Coefficient B			-4.21621e+03
Coefficient C			-6.90020e+01
Temperature range, min.			348.32
Temperature range, max.			487.66
Pvap	1.33	kPa	348.32	Calculated Property
Pvap	2.95	kPa	363.80	Calculated Property
Pvap	6.01	kPa	379.28	Calculated Property
Pvap	11.47	kPa	394.77	Calculated Property
Pvap	20.63	kPa	410.25	Calculated Property
Pvap	35.28	kPa	425.73	Calculated Property
Pvap	57.67	kPa	441.21	Calculated Property
Pvap	90.66	kPa	456.70	Calculated Property
Pvap	137.66	kPa	472.18	Calculated Property
Pvap	202.65	kPa	487.66	Calculated Property
Pvap	[5.29e-06; 2094.03]	kPa	[203.72; 622.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.06135e+01
Coefficient B			-8.24305e+03
Coefficient C			-7.98994e+00
Coefficient D			4.35446e-06
Coefficient E			0.00000e+00
Temperature range, min.			203.72
Temperature range, max.			622.00
Pvap	5.29e-06	kPa	203.72	Calculated Property
Pvap	2.06e-03	kPa	250.20	Calculated Property
Pvap	0.10	kPa	296.67	Calculated Property
Pvap	1.58	kPa	343.15	Calculated Property
Pvap	11.66	kPa	389.62	Calculated Property
Pvap	53.41	kPa	436.10	Calculated Property
Pvap	176.83	kPa	482.57	Calculated Property
Pvap	466.76	kPa	529.05	Calculated Property
Pvap	1048.17	kPa	575.52	Calculated Property
Pvap	2094.03	kPa	622.00	Calculated Property
Pvap	[7.59; 100.90]	kPa	[378.61; 459.90]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35195e+01
Coefficient B			-3.21548e+03
Coefficient C			-9.88290e+01
Reference			Dreisbach and Shrader, 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			378.61
Temperature range, max.			459.90
Pvap	7.59	kPa	378.61	Calculated Property
Pvap	10.87	kPa	387.64	Calculated Property
Pvap	15.24	kPa	396.67	Calculated Property
Pvap	20.94	kPa	405.71	Calculated Property
Pvap	28.25	kPa	414.74	Calculated Property
Pvap	37.49	kPa	423.77	Calculated Property
Pvap	48.99	kPa	432.80	Calculated Property
Pvap	63.12	kPa	441.84	Calculated Property
Pvap	80.29	kPa	450.87	Calculated Property
Pvap	100.90	kPa	459.90	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[204.15; 463.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.19264e-02
Coefficient B			-9.25000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			204.15
Temperature range, max.			463.15
γ	0.03	N/m	204.15	Calculated Property
γ	0.03	N/m	232.93	Calculated Property
γ	0.03	N/m	261.71	Calculated Property
γ	0.03	N/m	290.48	Calculated Property
γ	0.02	N/m	319.26	Calculated Property
γ	0.02	N/m	348.04	Calculated Property
γ	0.02	N/m	376.82	Calculated Property
γ	0.01	N/m	405.59	Calculated Property
γ	0.01	N/m	434.37	Calculated Property
γ	0.01	N/m	463.15	Calculated Property

Similar Compounds

Find more compounds similar to n-Amyl ether.

Mixtures

• 1H-Imidazole, 1-methyl- + n-Amyl ether
• Formamide, N,N-dimethyl- + n-Amyl ether
• 2-Pyrrolidinone, 1-methyl- + n-Amyl ether
• Dodecane + n-Amyl ether
• n-Amyl ether + Tetradecane
• Hexadecane + n-Amyl ether
• n-Amyl ether + 1H-Imidazole
• n-Amyl ether + 1H-Imidazole, 2-methyl-
• n-Amyl ether + 1H-Imidazole, 1,2-dimethyl-

Sources

• KDB Vapor Pressure Data
• 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).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• (Solid + liquid) phase equilibria of binary mixtures containing N-methyl-2-pyrrolidinone and ethers at atmospheric pressure
• Experimental liquid liquid equilibria of 1-methylimidazole with hydrocarbons and ethers
• Experimental and modeled volumetric behavior of linear and branched ethers
• Volumetric properties of (N,N-dimethylformamide + aliphatic diethers) at Temperatures ranging from (298.15 to 358.15) K
• Excess molar enthalpies of binary mixtures containing 2-decanone or dipentyl ether with long-chain n-alkanes at T = 298.15 K
• Solubility of Imidazoles in Ethers
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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