Chemical Properties of Butane, 1-iodo- (CAS 542-69-8)

InChI

InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3

InChI Key

KMGBZBJJOKUPIA-UHFFFAOYSA-N

Formula

C4H9I

SMILES

CCCCI

Molecular Weight¹

184.02

CAS

542-69-8

Other Names

• 1-Jodbutan
• 1-iodobutane
• Iodobutane
• butyl iodide
• n-C4H9I
• n-butyl 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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	0.2460		Relay (1.0) Calculated Property
ΔfG°	40.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-47.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.52	kJ/mol	Joback Calculated Property
ΔvapH°	[35.40; 40.67]	kJ/mol
ΔvapH°	40.67	kJ/mol	NIST
ΔvapH°	40.30	kJ/mol	NIST
ΔvapH°	39.70	kJ/mol	NIST
ΔvapH°	40.60 ± 0.10	kJ/mol	NIST
ΔvapH°	40.63 ± 0.04	kJ/mol	NIST
ΔvapH°	Outlier 35.40 ± 0.04	kJ/mol	NIST
IE	[9.21; 9.50]	eV
IE	9.23 ± 0.01	eV	NIST
IE	9.23	eV	NIST
IE	9.23	eV	NIST
IE	9.23	eV	NIST
IE	9.24	eV	NIST
IE	9.23	eV	NIST
IE	9.23 ± 0.01	eV	NIST
IE	9.23	eV	NIST
IE	9.21 ± 0.01	eV	NIST
IE	9.23	eV	NIST
IE	Outlier 9.50	eV	NIST
log10WS	[-2.96; -2.96]
log10WS	-2.96		Aq. Solubility Prediction
log10WS	-2.96		Estimated Solubility
logPoct/wat	2.221		Crippen Calculated Property
McVol	93.040	ml/mol	McGowan Calculated Property
Pc	3791.65	kPa	Joback Calculated Property
Inp	[797.00; 844.90]
Inp	810.00		NIST
Inp	Outlier 844.90		NIST
Inp	821.00		NIST
Inp	806.00		NIST
Inp	814.00		NIST
Inp	819.30		NIST
Inp	806.20		NIST
Inp	798.00		NIST
Inp	815.00		NIST
Inp	806.00		NIST
Inp	810.00		NIST
Inp	820.00		NIST
Inp	820.00		NIST
Inp	820.00		NIST
Inp	819.00		NIST
Inp	813.00		NIST
Inp	820.00		NIST
Inp	826.00		NIST
Inp	807.00		NIST
Inp	820.00		NIST
Inp	820.00		NIST
Inp	820.00		NIST
Inp	816.00		NIST
Inp	809.00		NIST
Inp	811.00		NIST
Inp	811.00		NIST
Inp	Outlier 840.00		NIST
Inp	797.00		NIST
Inp	Outlier 840.00		NIST
Inp	806.20		NIST
Inp	798.00		NIST
Inp	816.00		NIST
I	[1062.00; 1115.00]
I	Outlier 1111.00		NIST
I	1069.00		NIST
I	1065.00		NIST
I	1067.00		NIST
I	1062.00		NIST
I	1063.00		NIST
I	1066.00		NIST
I	Outlier 1115.00		NIST
I	1065.00		NIST
I	1065.00		NIST
I	1062.00		NIST
I	1065.00		NIST
Tboil	[399.00; 404.00]	K
Tboil	403.55	K	KDB
Tboil	403.70	K	NIST
Tboil	403.70	K	NIST
Tboil	404.00 ± 2.00	K	NIST
Tboil	403.15 ± 4.00	K	NIST
Tboil	403.55 ± 0.50	K	NIST
Tboil	403.55 ± 0.40	K	NIST
Tboil	Outlier 399.00 ± 4.00	K	NIST
Tboil	403.70 ± 0.50	K	NIST
Tboil	403.85 ± 0.30	K	NIST
Tboil	403.05 ± 0.50	K	NIST
Tc	614.10	K	Relay (1.0) Calculated Property
Tfus	[143.15; 169.65]	K
Tfus	143.15	K	KDB
Tfus	169.65 ± 0.30	K	NIST
Vc	0.349	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	164.50	J/mol×K	298.15	NIST
ΔvapH	[34.66; 39.90]	kJ/mol	[361.50; 403.70]
ΔvapH	39.90	kJ/mol	361.50	NIST
ΔvapH	34.66	kJ/mol	403.70	NIST
ρl	[1457.20; 1670.90]	kg/m3	[253.15; 383.15]
ρl	1670.90	kg/m3	253.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1655.20	kg/m3	263.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1639.10	kg/m3	273.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1623.70	kg/m3	283.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1607.60	kg/m3	293.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1599.80	kg/m3	298.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1558.70	kg/m3	323.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1525.70	kg/m3	343.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1492.00	kg/m3	363.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1457.20	kg/m3	383.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[107.41; 234.86]	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			1.09430e+01
Coefficient B			4.22820e-01
Coefficient C			-2.75200e-04
Coefficient D			7.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.41	J/mol×K	273.00	Calculated Property
Cp,gas	129.46	J/mol×K	353.78	Calculated Property
Cp,gas	148.97	J/mol×K	434.56	Calculated Property
Cp,gas	166.19	J/mol×K	515.33	Calculated Property
Cp,gas	181.36	J/mol×K	596.11	Calculated Property
Cp,gas	194.72	J/mol×K	676.89	Calculated Property
Cp,gas	206.50	J/mol×K	757.67	Calculated Property
Cp,gas	216.96	J/mol×K	838.44	Calculated Property
Cp,gas	226.34	J/mol×K	919.22	Calculated Property
Cp,gas	234.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0210395; 0.0003366]	Pa×s	[156.40; 412.00]	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			-1.05270e+01
Coefficient B			1.04250e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			156.40
Temperature range, max.			412.00
η	0.0210395	Pa×s	156.40	Calculated Property
η	0.0075536	Pa×s	184.80	Calculated Property
η	0.0035628	Pa×s	213.20	Calculated Property
η	0.0020052	Pa×s	241.60	Calculated Property
η	0.0012736	Pa×s	270.00	Calculated Property
η	0.0008820	Pa×s	298.40	Calculated Property
η	0.0006510	Pa×s	326.80	Calculated Property
η	0.0005045	Pa×s	355.20	Calculated Property
η	0.0004059	Pa×s	383.60	Calculated Property
η	0.0003366	Pa×s	412.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[294.88; 429.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46268e+01
Coefficient B			-3.58287e+03
Coefficient C			-4.50160e+01
Temperature range, min.			294.88
Temperature range, max.			429.64
Pvap	1.33	kPa	294.88	Calculated Property
Pvap	3.00	kPa	309.85	Calculated Property
Pvap	6.19	kPa	324.83	Calculated Property
Pvap	11.85	kPa	339.80	Calculated Property
Pvap	21.33	kPa	354.77	Calculated Property
Pvap	36.36	kPa	369.75	Calculated Property
Pvap	59.13	kPa	384.72	Calculated Property
Pvap	92.30	kPa	399.69	Calculated Property
Pvap	138.96	kPa	414.67	Calculated Property
Pvap	202.66	kPa	429.64	Calculated Property
Pvap	[1.32; 198.11]	kPa	[292.15; 431.15]	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			9.36261e+01
Coefficient B			-7.91214e+03
Coefficient C			-1.18026e+01
Coefficient D			8.68183e-06
Coefficient E			0.00000e+00
Temperature range, min.			292.15
Temperature range, max.			431.15
Pvap	1.32	kPa	292.15	Calculated Property
Pvap	3.04	kPa	307.59	Calculated Property
Pvap	6.34	kPa	323.04	Calculated Property
Pvap	12.20	kPa	338.48	Calculated Property
Pvap	21.93	kPa	353.93	Calculated Property
Pvap	37.17	kPa	369.37	Calculated Property
Pvap	59.91	kPa	384.82	Calculated Property
Pvap	92.48	kPa	400.26	Calculated Property
Pvap	137.55	kPa	415.71	Calculated Property
Pvap	198.11	kPa	431.15	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Experimental determination of enthalpy of 1-butyl-3-methylimidazolium iodide synthesis and prediction of enthalpies of formation for imidazolium ionic liquids
• Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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