Chemical Properties of Butane, 1-(1-methylethoxy)-

InChI

InChI=1S/C7H16O/c1-4-5-6-8-7(2)3/h7H,4-6H2,1-3H3

InChI Key

GPDFVOVLOXMSBT-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CCCCOC(C)C

Molecular Weight¹

116.20

Other Names

• Butyl isopropyl ether
• Ether, butyl isopropyl
• Isopropyl butyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4032		ChemSep v8.3 pure component data Compiled value
μ	1.27	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	-107.10	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-326.90	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	11.55	kJ/mol	Joback Calculated Property
ΔvapH°	38.80	kJ/mol	NIST
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-1.63		Relay (1.0) Calculated Property
logPoct/wat	2.212		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	2740.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	3.38e-05	kPa	ChemSep v8.3 pure component data Compiled value
Inp	725.00		NIST
Tboil	[378.15; 382.30]	K
Tboil	378.15	K	ChemSep v8.3 pure component data Compiled value
Tboil	382.30	K	NIST
Tc	549.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	180.00	K	ChemSep v8.3 pure component data Compiled value
Ttriple	180.00	K	ChemSep v8.3 pure component data Compiled value
UQi	4.63		ChemSep v8.3 pure component data Compiled value
URi	5.42		ChemSep v8.3 pure component data Compiled value
Vc	0.435	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2610000		ChemSep v8.3 pure component data Compiled value
Zra	0.26		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	32.95	kJ/mol	382.30	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	381.20	K	98.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.92; 433.16]	J/mol×K	[180.00; 1200.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.69730e+01
Coefficient B			-4.43410e+02
Coefficient C			6.01724e+00
Coefficient D			3.29490e-04
Coefficient E			-1.16440e-07
Temperature range, min.			180.00
Temperature range, max.			1200.00
Cp,gas	113.92	J/mol×K	180.00	Calculated Property
Cp,gas	175.69	J/mol×K	293.33	Calculated Property
Cp,gas	231.69	J/mol×K	406.67	Calculated Property
Cp,gas	278.19	J/mol×K	520.00	Calculated Property
Cp,gas	316.60	J/mol×K	633.33	Calculated Property
Cp,gas	348.62	J/mol×K	746.67	Calculated Property
Cp,gas	375.51	J/mol×K	860.00	Calculated Property
Cp,gas	398.18	J/mol×K	973.33	Calculated Property
Cp,gas	417.25	J/mol×K	1086.67	Calculated Property
Cp,gas	433.16	J/mol×K	1200.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[217.57; 315.20]	J/mol×K	[180.00; 411.75]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			2.00760e+02
Coefficient B			-7.71260e-01
Coefficient C			1.20824e+00
Coefficient D			9.30670e-03
Coefficient E			-1.76000e-06
Temperature range, min.			180.00
Temperature range, max.			411.75
Cp,liquid	217.57	J/mol×K	180.00	Calculated Property
Cp,liquid	221.77	J/mol×K	205.75	Calculated Property
Cp,liquid	226.94	J/mol×K	231.50	Calculated Property
Cp,liquid	233.31	J/mol×K	257.25	Calculated Property
Cp,liquid	241.14	J/mol×K	283.00	Calculated Property
Cp,liquid	250.73	J/mol×K	308.75	Calculated Property
Cp,liquid	262.45	J/mol×K	334.50	Calculated Property
Cp,liquid	276.74	J/mol×K	360.25	Calculated Property
Cp,liquid	294.11	J/mol×K	386.00	Calculated Property
Cp,liquid	315.20	J/mol×K	411.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0070628; 0.0001257]	Pa×s	[180.00; 473.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14960e+01
Coefficient B			1.17160e+03
Coefficient C			6.68920e-03
Coefficient D			-1.66590e-08
Coefficient E			2.00000e+00
Temperature range, min.			180.00
Temperature range, max.			473.00
η	0.0070628	Pa×s	180.00	Calculated Property
η	0.0026086	Pa×s	212.56	Calculated Property
η	0.0012554	Pa×s	245.11	Calculated Property
η	0.0007172	Pa×s	277.67	Calculated Property
η	0.0004608	Pa×s	310.22	Calculated Property
η	0.0003220	Pa×s	342.78	Calculated Property
η	0.0002394	Pa×s	375.33	Calculated Property
η	0.0001867	Pa×s	407.89	Calculated Property
η	0.0001510	Pa×s	440.44	Calculated Property
η	0.0001257	Pa×s	473.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.86; 0.00]	kJ/mol	[180.00; 549.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			5.21770e+01
Coefficient B			3.80270e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			5.49000e+02
Temperature range, min.			180.00
Temperature range, max.			549.00
ΔvapH	44.86	kJ/mol	180.00	Calculated Property
ΔvapH	42.90	kJ/mol	221.00	Calculated Property
ΔvapH	40.77	kJ/mol	262.00	Calculated Property
ΔvapH	38.45	kJ/mol	303.00	Calculated Property
ΔvapH	35.88	kJ/mol	344.00	Calculated Property
ΔvapH	32.96	kJ/mol	385.00	Calculated Property
ΔvapH	29.54	kJ/mol	426.00	Calculated Property
ΔvapH	25.32	kJ/mol	467.00	Calculated Property
ΔvapH	19.45	kJ/mol	508.00	Calculated Property
ΔvapH	0.00	kJ/mol	549.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.25e-05; 2642.08]	kPa	[180.00; 549.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			7.90886e+01
Coefficient B			-7.31540e+03
Coefficient C			-9.42640e+00
Coefficient D			5.23675e-06
Coefficient E			2.00000e+00
Temperature range, min.			180.00
Temperature range, max.			549.00
Pvap	3.25e-05	kPa	180.00	Calculated Property
Pvap	9.64e-03	kPa	221.00	Calculated Property
Pvap	0.38	kPa	262.00	Calculated Property
Pvap	4.79	kPa	303.00	Calculated Property
Pvap	29.56	kPa	344.00	Calculated Property
Pvap	115.13	kPa	385.00	Calculated Property
Pvap	328.67	kPa	426.00	Calculated Property
Pvap	756.14	kPa	467.00	Calculated Property
Pvap	1493.07	kPa	508.00	Calculated Property
Pvap	2642.08	kPa	549.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[848.85; 267.13]	kg/m3	[180.00; 549.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			7.23446e+01
Coefficient B			2.70820e-01
Coefficient C			5.49000e+02
Coefficient D			3.07350e-01
Temperature range, min.			180.00
Temperature range, max.			549.00
ρl	848.85	kg/m3	180.00	Calculated Property
ρl	814.67	kg/m3	221.00	Calculated Property
ρl	778.95	kg/m3	262.00	Calculated Property
ρl	741.31	kg/m3	303.00	Calculated Property
ρl	701.20	kg/m3	344.00	Calculated Property
ρl	657.75	kg/m3	385.00	Calculated Property
ρl	609.46	kg/m3	426.00	Calculated Property
ρl	553.32	kg/m3	467.00	Calculated Property
ρl	481.17	kg/m3	508.00	Calculated Property
ρl	267.13	kg/m3	549.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 1.19e-05]	N/m	[180.00; 544.20]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-7.31250e-03
Coefficient B			6.84410e+01
Coefficient C			-3.65540e+00
Coefficient D			1.67950e-03
Coefficient E			-7.76920e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 549 K.
Temperature range, min.			180.00
Temperature range, max.			544.20
γ	0.03	N/m	180.00	Calculated Property
γ	0.03	N/m	220.47	Calculated Property
γ	0.02	N/m	260.93	Calculated Property
γ	0.02	N/m	301.40	Calculated Property
γ	0.02	N/m	341.87	Calculated Property
γ	0.01	N/m	382.33	Calculated Property
γ	0.01	N/m	422.80	Calculated Property
γ	0.01	N/m	463.27	Calculated Property
γ	0.00	N/m	503.74	Calculated Property
γ	1.19e-05	N/m	544.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.08]	W/m×K	[180.00; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			1.60130e-04
Coefficient B			9.65620e-01
Coefficient C			5.74460e+02
Coefficient D			1.84190e+04
Temperature range, min.			180.00
Temperature range, max.			1000.00
λgas	0.01	W/m×K	180.00	Calculated Property
λgas	0.01	W/m×K	271.11	Calculated Property
λgas	0.02	W/m×K	362.22	Calculated Property
λgas	0.02	W/m×K	453.33	Calculated Property
λgas	0.03	W/m×K	544.44	Calculated Property
λgas	0.04	W/m×K	635.56	Calculated Property
λgas	0.05	W/m×K	726.67	Calculated Property
λgas	0.06	W/m×K	817.78	Calculated Property
λgas	0.07	W/m×K	908.89	Calculated Property
λgas	0.08	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.08]	W/m×K	[164.70; 439.20]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-1.00950e-01
Coefficient B			1.73550e+01
Coefficient C			-1.41460e+00
Coefficient D			-8.21570e-05
Coefficient E			-1.47350e-06
Temperature range, min.			164.70
Temperature range, max.			439.20
λliquid	0.16	W/m×K	164.70	Calculated Property
λliquid	0.15	W/m×K	195.20	Calculated Property
λliquid	0.14	W/m×K	225.70	Calculated Property
λliquid	0.13	W/m×K	256.20	Calculated Property
λliquid	0.12	W/m×K	286.70	Calculated Property
λliquid	0.11	W/m×K	317.20	Calculated Property
λliquid	0.11	W/m×K	347.70	Calculated Property
λliquid	0.10	W/m×K	378.20	Calculated Property
λliquid	0.09	W/m×K	408.70	Calculated Property
λliquid	0.08	W/m×K	439.20	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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