Chemical Properties of Butane, 1-iodo-3-methyl- (CAS 541-28-6)

InChI

InChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3

InChI Key

BUZZUHJODKQYTF-UHFFFAOYSA-N

Formula

C5H11I

SMILES

CC(C)CCI

Molecular Weight¹

198.05

CAS

541-28-6

Other Names

• 1-Jod-3-methylbutan
• 1-iodo-3-methylbutane
• 3-Methylbutyliodide
• 4-iodo-2-methylbutane
• CH2ICH2CH(CH3)2
• iso-Amyliodide
• isoamyl iodide
• isopentyl iodide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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.
• I_p : 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	0.2680		Relay (1.0) Calculated Property
ΔfG°	46.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.59	kJ/mol	Joback Calculated Property
ΔvapH°	42.20	kJ/mol	NIST
IE	[9.17; 9.20]	eV
IE	9.18	eV	NIST
IE	9.20	eV	NIST
IE	9.20	eV	NIST
IE	9.19	eV	NIST
IE	9.17 ± 0.01	eV	NIST
log10WS	-3.51		Relay (1.0) Calculated Property
logPoct/wat	2.468		Crippen Calculated Property
McVol	107.130	ml/mol	McGowan Calculated Property
Pc	3411.87	kPa	Joback Calculated Property
Inp	884.00		NIST
Ip	[1108.00; 1108.00]
Ip	1108.00		NIST
Ip	1108.00		NIST
Tboil	[419.00; 420.80]	K
Tboil	419.00 ± 3.00	K	NIST
Tboil	420.80 ± 0.25	K	NIST
Tboil	420.80 ± 0.50	K	NIST
Tboil	420.80 ± 0.50	K	NIST
Tboil	420.80 ± 0.50	K	NIST
Tc	627.89	K	Relay (1.0) Calculated Property
Tfus	161.38	K	Relay (1.0) Calculated Property
Vc	0.380	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[178.70; 202.00]	J/mol×K	[298.00; 350.00]
Cp,liquid	178.70	J/mol×K	298.00	NIST
Cp,liquid	187.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	191.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	194.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	198.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	202.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔvapH	43.50	kJ/mol	346.00	NIST
Pvap	[0.04; 1.16]	kPa	[253.67; 303.29]
Pvap	0.04	kPa	253.67	Vapor Pressure of Selected Organic Iodides
Pvap	0.04	kPa	253.68	Vapor Pressure of Selected Organic Iodides
Pvap	0.04	kPa	253.70	Vapor Pressure of Selected Organic Iodides
Pvap	0.06	kPa	258.62	Vapor Pressure of Selected Organic Iodides
Pvap	0.06	kPa	258.62	Vapor Pressure of Selected Organic Iodides
Pvap	0.13	kPa	268.98	Vapor Pressure of Selected Organic Iodides
Pvap	0.13	kPa	269.10	Vapor Pressure of Selected Organic Iodides
Pvap	0.18	kPa	273.61	Vapor Pressure of Selected Organic Iodides
Pvap	0.18	kPa	273.61	Vapor Pressure of Selected Organic Iodides
Pvap	0.18	kPa	273.61	Vapor Pressure of Selected Organic Iodides
Pvap	0.25	kPa	278.56	Vapor Pressure of Selected Organic Iodides
Pvap	0.25	kPa	278.57	Vapor Pressure of Selected Organic Iodides
Pvap	0.25	kPa	278.58	Vapor Pressure of Selected Organic Iodides
Pvap	0.35	kPa	283.55	Vapor Pressure of Selected Organic Iodides
Pvap	0.35	kPa	283.55	Vapor Pressure of Selected Organic Iodides
Pvap	0.35	kPa	283.56	Vapor Pressure of Selected Organic Iodides
Pvap	0.48	kPa	288.52	Vapor Pressure of Selected Organic Iodides
Pvap	0.48	kPa	288.53	Vapor Pressure of Selected Organic Iodides
Pvap	0.48	kPa	288.54	Vapor Pressure of Selected Organic Iodides
Pvap	0.66	kPa	293.55	Vapor Pressure of Selected Organic Iodides
Pvap	0.66	kPa	293.55	Vapor Pressure of Selected Organic Iodides
Pvap	0.66	kPa	293.57	Vapor Pressure of Selected Organic Iodides
Pvap	0.87	kPa	298.43	Vapor Pressure of Selected Organic Iodides
Pvap	0.88	kPa	298.44	Vapor Pressure of Selected Organic Iodides
Pvap	0.88	kPa	298.44	Vapor Pressure of Selected Organic Iodides
Pvap	1.16	kPa	303.29	Vapor Pressure of Selected Organic Iodides
Pvap	1.16	kPa	303.29	Vapor Pressure of Selected Organic Iodides
Pvap	1.16	kPa	303.29	Vapor Pressure of Selected Organic Iodides

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.31; 286.99]	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			8.35200e+00
Coefficient B			5.23740e-01
Coefficient C			-3.32800e-04
Coefficient D			8.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.31	J/mol×K	273.00	Calculated Property
Cp,gas	155.87	J/mol×K	353.78	Calculated Property
Cp,gas	180.30	J/mol×K	434.56	Calculated Property
Cp,gas	201.87	J/mol×K	515.33	Calculated Property
Cp,gas	220.88	J/mol×K	596.11	Calculated Property
Cp,gas	237.58	J/mol×K	676.89	Calculated Property
Cp,gas	252.27	J/mol×K	757.67	Calculated Property
Cp,gas	265.22	J/mol×K	838.44	Calculated Property
Cp,gas	276.70	J/mol×K	919.22	Calculated Property
Cp,gas	286.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0102765; 0.0003175]	Pa×s	[189.17; 429.97]	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			-1.07865e+01
Coefficient B			1.17448e+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.			189.17
Temperature range, max.			429.97
η	0.0102765	Pa×s	189.17	Calculated Property
η	0.0047614	Pa×s	215.93	Calculated Property
η	0.0026140	Pa×s	242.68	Calculated Property
η	0.0016166	Pa×s	269.44	Calculated Property
η	0.0010904	Pa×s	296.19	Calculated Property
η	0.0007851	Pa×s	322.95	Calculated Property
η	0.0005944	Pa×s	349.70	Calculated Property
η	0.0004682	Pa×s	376.46	Calculated Property
η	0.0003806	Pa×s	403.21	Calculated Property
η	0.0003175	Pa×s	429.97	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[312.08; 445.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48981e+01
Coefficient B			-3.70808e+03
Coefficient C			-5.82850e+01
Temperature range, min.			312.08
Temperature range, max.			445.08
Pvap	1.33	kPa	312.08	Calculated Property
Pvap	2.98	kPa	326.86	Calculated Property
Pvap	6.12	kPa	341.64	Calculated Property
Pvap	11.71	kPa	356.41	Calculated Property
Pvap	21.07	kPa	371.19	Calculated Property
Pvap	35.95	kPa	385.97	Calculated Property
Pvap	58.58	kPa	400.75	Calculated Property
Pvap	91.68	kPa	415.52	Calculated Property
Pvap	138.47	kPa	430.30	Calculated Property
Pvap	202.65	kPa	445.08	Calculated Property
Pvap	[0.13; 101.14]	kPa	[270.70; 421.40]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46589e+01
Coefficient B			-3.80613e+03
Coefficient C			-4.23950e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			270.70
Temperature range, max.			421.40
Pvap	0.13	kPa	270.70	Calculated Property
Pvap	0.42	kPa	287.44	Calculated Property
Pvap	1.13	kPa	304.19	Calculated Property
Pvap	2.70	kPa	320.93	Calculated Property
Pvap	5.87	kPa	337.68	Calculated Property
Pvap	11.71	kPa	354.42	Calculated Property
Pvap	21.80	kPa	371.17	Calculated Property
Pvap	38.21	kPa	387.91	Calculated Property
Pvap	63.58	kPa	404.66	Calculated Property
Pvap	101.14	kPa	421.40	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-iodo-3-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressure of Selected Organic Iodides
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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