Chemical Properties of Butane, 2-iodo- (CAS 513-48-4)

InChI

InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3

InChI Key

IQRUSQUYPCHEKN-UHFFFAOYSA-N

Formula

C4H9I

SMILES

CCC(C)I

Molecular Weight¹

184.02

CAS

513-48-4

Other Names

• 2-Butyl Iodide
• 2-Iodobutane
• 2-Jodbutan
• UN 2390
• sec-Butyl Iodide
• sec-C4H9I
• sec-Iodobutane

• 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.
• γ : Surface Tension (N/m).
• 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	0.2317		Relay (1.0) Calculated Property
ΔfG°	38.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-36.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.00	kJ/mol	Joback Calculated Property
ΔvapH°	[37.90; 38.80]	kJ/mol
ΔvapH°	38.49	kJ/mol	NIST
ΔvapH°	37.90	kJ/mol	NIST
ΔvapH°	38.80	kJ/mol	NIST
ΔvapH°	38.50 ± 0.10	kJ/mol	NIST
ΔvapH°	38.46 ± 0.06	kJ/mol	NIST
IE	[9.09; 9.40]	eV
IE	9.10 ± 0.02	eV	NIST
IE	9.10	eV	NIST
IE	9.10	eV	NIST
IE	9.13	eV	NIST
IE	9.09 ± 0.02	eV	NIST
IE	Outlier 9.40	eV	NIST
log10WS	-2.63		Relay (1.0) Calculated Property
logPoct/wat	2.220		Crippen Calculated Property
McVol	93.040	ml/mol	McGowan Calculated Property
Pc	3829.28	kPa	Joback Calculated Property
Inp	789.00		NIST
Ip	[1019.00; 1019.00]
Ip	1019.00		NIST
Ip	1019.00		NIST
Tboil	[391.15; 393.20]	K
Tboil	393.15	K	KDB
Tboil	392.70	K	NIST
Tboil	393.00	K	NIST
Tboil	393.20	K	NIST
Tboil	392.70 ± 2.00	K	NIST
Tboil	391.40 ± 1.00	K	NIST
Tboil	391.15 ± 1.50	K	NIST
Tc	615.20	K	Relay (1.0) Calculated Property
Tfus	[133.15; 169.15]	K
Tfus	169.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	133.15	K	KDB
Tfus	168.95 ± 0.40	K	NIST
Vc	0.342	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[107.10; 235.40]	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			9.26100e+00
Coefficient B			4.28740e-01
Coefficient C			-2.78400e-04
Coefficient D			7.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.10	J/mol×K	273.00	Calculated Property
Cp,gas	129.45	J/mol×K	353.78	Calculated Property
Cp,gas	149.22	J/mol×K	434.56	Calculated Property
Cp,gas	166.64	J/mol×K	515.33	Calculated Property
Cp,gas	181.97	J/mol×K	596.11	Calculated Property
Cp,gas	195.42	J/mol×K	676.89	Calculated Property
Cp,gas	207.25	J/mol×K	757.67	Calculated Property
Cp,gas	217.70	J/mol×K	838.44	Calculated Property
Cp,gas	227.00	J/mol×K	919.22	Calculated Property
Cp,gas	235.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0227410; 0.0003160]	Pa×s	[157.08; 415.33]	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			-1.06610e+01
Coefficient B			1.08032e+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.			157.08
Temperature range, max.			415.33
η	0.0227410	Pa×s	157.08	Calculated Property
η	0.0078612	Pa×s	185.78	Calculated Property
η	0.0036108	Pa×s	214.47	Calculated Property
η	0.0019928	Pa×s	243.16	Calculated Property
η	0.0012469	Pa×s	271.86	Calculated Property
η	0.0008532	Pa×s	300.55	Calculated Property
η	0.0006238	Pa×s	329.25	Calculated Property
η	0.0004795	Pa×s	357.94	Calculated Property
η	0.0003833	Pa×s	386.63	Calculated Property
η	0.0003160	Pa×s	415.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[291.84; 414.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.76031e+01
Coefficient B			-5.19995e+03
Coefficient C			8.46400e+00
Temperature range, min.			291.84
Temperature range, max.			414.58
Pvap	1.33	kPa	291.84	Calculated Property
Pvap	2.83	kPa	305.48	Calculated Property
Pvap	5.64	kPa	319.12	Calculated Property
Pvap	10.63	kPa	332.75	Calculated Property
Pvap	19.09	kPa	346.39	Calculated Property
Pvap	32.84	kPa	360.03	Calculated Property
Pvap	54.35	kPa	373.67	Calculated Property
Pvap	86.86	kPa	387.30	Calculated Property
Pvap	134.55	kPa	400.94	Calculated Property
Pvap	202.63	kPa	414.58	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[169.15; 393.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.91646e-02
Coefficient B			-1.05600e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			169.15
Temperature range, max.			393.15
γ	0.04	N/m	169.15	Calculated Property
γ	0.04	N/m	194.04	Calculated Property
γ	0.04	N/m	218.93	Calculated Property
γ	0.03	N/m	243.82	Calculated Property
γ	0.03	N/m	268.71	Calculated Property
γ	0.03	N/m	293.59	Calculated Property
γ	0.03	N/m	318.48	Calculated Property
γ	0.02	N/m	343.37	Calculated Property
γ	0.02	N/m	368.26	Calculated Property
γ	0.02	N/m	393.15	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• 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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