Chemical Properties of Butane, 1,4-diiodo- (CAS 628-21-7)

InChI

InChI=1S/C4H8I2/c5-3-1-2-4-6/h1-4H2

InChI Key

ROUYUBHVBIKMQO-UHFFFAOYSA-N

Formula

C4H8I2

SMILES

ICCCCI

Molecular Weight¹

309.92

CAS

628-21-7

Other Names

• 1,4-Diiodobutane
• 1,4-Diodobutane
• Tetramethylene diiodide
• Tetramethylene iodide

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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_boilr : Boiling point at reduced pressure (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	0.3380		Relay (1.0) Calculated Property
ΔcH°liquid	-2687.40 ± 1.80	kJ/mol	NIST
ΔfH°gas	29.00 ± 2.10	kJ/mol	NIST
ΔfH°liquid	-30.00 ± 2.00	kJ/mol	NIST
ΔfusH°	14.93	kJ/mol	Joback Calculated Property
ΔvapH°	[59.00; 59.00]	kJ/mol
ΔvapH°	59.00 ± 0.60	kJ/mol	NIST
ΔvapH°	59.00	kJ/mol	NIST
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	2.637		Crippen Calculated Property
McVol	118.860	ml/mol	McGowan Calculated Property
Pc	3690.97	kPa	Joback Calculated Property
Tboil	484.05	K	Relay (1.0) Calculated Property
Tc	746.16	K	Relay (1.0) Calculated Property
Tfus	279.10 ± 0.40	K	NIST
Vc	0.410	m3/kmol	Relay (1.0) Calculated Property

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Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.49; 244.03]	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			2.26340e+01
Coefficient B			4.61800e-01
Coefficient C			-3.56600e-04
Coefficient D			1.16200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.49	J/mol×K	273.00	Calculated Property
Cp,gas	146.52	J/mol×K	353.78	Calculated Property
Cp,gas	165.51	J/mol×K	434.56	Calculated Property
Cp,gas	181.82	J/mol×K	515.33	Calculated Property
Cp,gas	195.82	J/mol×K	596.11	Calculated Property
Cp,gas	207.87	J/mol×K	676.89	Calculated Property
Cp,gas	218.36	J/mol×K	757.67	Calculated Property
Cp,gas	227.63	J/mol×K	838.44	Calculated Property
Cp,gas	236.07	J/mol×K	919.22	Calculated Property
Cp,gas	244.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033425; 0.0003562]	Pa×s	[279.10; 504.71]	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			-1.07097e+01
Coefficient B			1.39792e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			279.10
Temperature range, max.			504.71
η	0.0033425	Pa×s	279.10	Calculated Property
η	0.0022121	Pa×s	304.17	Calculated Property
η	0.0015589	Pa×s	329.24	Calculated Property
η	0.0011544	Pa×s	354.30	Calculated Property
η	0.0008895	Pa×s	379.37	Calculated Property
η	0.0007079	Pa×s	404.44	Calculated Property
η	0.0005785	Pa×s	429.51	Calculated Property
η	0.0004835	Pa×s	454.58	Calculated Property
η	0.0004117	Pa×s	479.64	Calculated Property
η	0.0003562	Pa×s	504.71	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[387.20; 574.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35236e+01
Coefficient B			-4.05400e+03
Coefficient C			-8.09140e+01
Temperature range, min.			387.20
Temperature range, max.			574.57
Pvap	1.33	kPa	387.20	Calculated Property
Pvap	3.10	kPa	408.02	Calculated Property
Pvap	6.50	kPa	428.84	Calculated Property
Pvap	12.55	kPa	449.66	Calculated Property
Pvap	22.58	kPa	470.48	Calculated Property
Pvap	38.28	kPa	491.29	Calculated Property
Pvap	61.68	kPa	512.11	Calculated Property
Pvap	95.10	kPa	532.93	Calculated Property
Pvap	141.15	kPa	553.75	Calculated Property
Pvap	202.64	kPa	574.57	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,4-diiodo-.

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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