Chemical Properties of Butane, 1-iodo, 2-methyl- (CAS 616-14-8)

InChI

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

InChI Key

RHBHXHXNWHTGSO-UHFFFAOYSA-N

Formula

C5H11I

SMILES

CCC(C)CI

Molecular Weight¹

198.05

CAS

616-14-8

Other Names

• 1-Iodo-2-methylbutane

• 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).
• 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	0.2572		Relay (1.0) Calculated Property
ΔfG°	46.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-94.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.59	kJ/mol	Joback Calculated Property
ΔvapH°	42.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-3.53		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	[896.00; 896.00]
Inp	896.00		NIST
Inp	896.00		NIST
Ip	1120.00		NIST
Tboil	415.53	K	Relay (1.0) Calculated Property
Tc	631.85	K	Relay (1.0) Calculated Property
Tfus	168.39	K	Relay (1.0) Calculated Property
Vc	0.378	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

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; 202.64]	kPa	[310.32; 456.98]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39658e+01
Coefficient B			-3.45573e+03
Coefficient C			-5.76740e+01
Temperature range, min.			310.32
Temperature range, max.			456.98
Pvap	1.33	kPa	310.32	Calculated Property
Pvap	3.05	kPa	326.62	Calculated Property
Pvap	6.36	kPa	342.91	Calculated Property
Pvap	12.25	kPa	359.21	Calculated Property
Pvap	22.04	kPa	375.50	Calculated Property
Pvap	37.45	kPa	391.80	Calculated Property
Pvap	60.59	kPa	408.09	Calculated Property
Pvap	93.90	kPa	424.39	Calculated Property
Pvap	140.22	kPa	440.68	Calculated Property
Pvap	202.64	kPa	456.98	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-iodo, 2-methyl-.

Sources

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

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