Chemical Properties of Butane, 2-methoxy- (CAS 6795-87-5)

InChI

InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3

InChI Key

FVNIMHIOIXPIQT-UHFFFAOYSA-N

Formula

C5H12O

SMILES

CCC(C)OC

Molecular Weight¹

88.15

CAS

6795-87-5

Other Names

• 2-METHOXYBUTANE
• Ether, sec-butyl methyl
• Methyl sec-butyl ether
• sec-Butyl Methyl 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).
• 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).
• 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	0.2882		Relay (1.0) Calculated Property
ΔfG°	-116.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-270.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.37	kJ/mol	Joback Calculated Property
ΔvapH°	30.41	kJ/mol	NIST
IE	9.21 ± 0.07	eV	NIST
log10WS	-0.37		Relay (1.0) Calculated Property
logPoct/wat	1.431		Crippen Calculated Property
McVol	87.180	ml/mol	McGowan Calculated Property
Pc	3431.89	kPa	Joback Calculated Property
Tboil	[332.20; 334.00]	K
Tboil	332.20	K	NIST
Tboil	334.00 ± 3.00	K	NIST
Tc	502.14	K	Relay (1.0) Calculated Property
Tfus	156.70	K	Relay (1.0) Calculated Property
Vc	0.322	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.64; 296.32]	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			2.21610e+01
Coefficient B			4.21560e-01
Coefficient C			-1.40400e-04
Coefficient D			-7.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.64	J/mol×K	273.00	Calculated Property
Cp,gas	153.42	J/mol×K	353.78	Calculated Property
Cp,gas	178.26	J/mol×K	434.56	Calculated Property
Cp,gas	201.16	J/mol×K	515.33	Calculated Property
Cp,gas	222.08	J/mol×K	596.11	Calculated Property
Cp,gas	241.01	J/mol×K	676.89	Calculated Property
Cp,gas	257.92	J/mol×K	757.67	Calculated Property
Cp,gas	272.79	J/mol×K	838.44	Calculated Property
Cp,gas	285.60	J/mol×K	919.22	Calculated Property
Cp,gas	296.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058560; 0.0001819]	Pa×s	[153.34; 353.03]	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			-1.12780e+01
Coefficient B			9.41150e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			153.34
Temperature range, max.			353.03
η	0.0058560	Pa×s	153.34	Calculated Property
η	0.0026956	Pa×s	175.53	Calculated Property
η	0.0014768	Pa×s	197.72	Calculated Property
η	0.0009136	Pa×s	219.90	Calculated Property
η	0.0006171	Pa×s	242.09	Calculated Property
η	0.0004453	Pa×s	264.28	Calculated Property
η	0.0003379	Pa×s	286.47	Calculated Property
η	0.0002669	Pa×s	308.66	Calculated Property
η	0.0002175	Pa×s	330.85	Calculated Property
η	0.0001819	Pa×s	353.03	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[246.12; 352.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53160e+01
Coefficient B			-3.19552e+03
Coefficient C			-3.34880e+01
Temperature range, min.			246.12
Temperature range, max.			352.90
Pvap	1.33	kPa	246.12	Calculated Property
Pvap	2.95	kPa	257.98	Calculated Property
Pvap	6.03	kPa	269.85	Calculated Property
Pvap	11.50	kPa	281.71	Calculated Property
Pvap	20.69	kPa	293.58	Calculated Property
Pvap	35.37	kPa	305.44	Calculated Property
Pvap	57.80	kPa	317.31	Calculated Property
Pvap	90.81	kPa	329.17	Calculated Property
Pvap	137.78	kPa	341.04	Calculated Property
Pvap	202.67	kPa	352.90	Calculated Property
Pvap	[1.93e-05; 3340.85]	kPa	[150.00; 498.00]	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			5.98518e+01
Coefficient B			-5.57636e+03
Coefficient C			-6.71233e+00
Coefficient D			4.62607e-06
Coefficient E			0.00000e+00
Temperature range, min.			150.00
Temperature range, max.			498.00
Pvap	1.93e-05	kPa	150.00	Calculated Property
Pvap	8.98e-03	kPa	188.67	Calculated Property
Pvap	0.42	kPa	227.33	Calculated Property
Pvap	5.68	kPa	266.00	Calculated Property
Pvap	36.19	kPa	304.67	Calculated Property
Pvap	143.17	kPa	343.33	Calculated Property
Pvap	412.17	kPa	382.00	Calculated Property
Pvap	952.99	kPa	420.67	Calculated Property
Pvap	1886.82	kPa	459.33	Calculated Property
Pvap	3340.85	kPa	498.00	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2-methoxy-.

Sources

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

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