Chemical Properties of Hexane, 1,6-diiodo- (CAS 629-09-4)

InChI

InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2

InChI Key

QLIMAARBRDAYGQ-UHFFFAOYSA-N

Formula

C6H12I2

SMILES

ICCCCCCI

Molecular Weight¹

337.97

CAS

629-09-4

Other Names

• 1,6-Diiodohexane
• Hexamethylene diiodide

• ω : Acentric Factor.
• 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_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	0.4336		Relay (1.0) Calculated Property
ΔfH°gas	-38.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.11	kJ/mol	Joback Calculated Property
ΔvapH°	66.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	3.417		Crippen Calculated Property
McVol	147.040	ml/mol	McGowan Calculated Property
Pc	2960.12	kPa	Joback Calculated Property
Tboil	414.50 ± 0.50	K	NIST
Tc	761.15	K	Relay (1.0) Calculated Property
Tfus	[282.60; 282.65]	K
Tfus	282.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	282.60 ± 0.30	K	NIST
Vc	0.514	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[414.70; 436.20]	K	[1.30; 2.40]
Tboilr	414.70	K	1.30	NIST
Tboilr	436.20	K	2.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.92; 347.22]	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			2.08160e+01
Coefficient B			6.51800e-01
Coefficient C			-4.65400e-04
Coefficient D			1.40000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.92	J/mol×K	273.00	Calculated Property
Cp,gas	199.36	J/mol×K	353.78	Calculated Property
Cp,gas	227.66	J/mol×K	434.56	Calculated Property
Cp,gas	252.27	J/mol×K	515.33	Calculated Property
Cp,gas	273.64	J/mol×K	596.11	Calculated Property
Cp,gas	292.19	J/mol×K	676.89	Calculated Property
Cp,gas	308.39	J/mol×K	757.67	Calculated Property
Cp,gas	322.66	J/mol×K	838.44	Calculated Property
Cp,gas	335.46	J/mol×K	919.22	Calculated Property
Cp,gas	347.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044783; 0.0003254]	Pa×s	[282.62; 530.41]	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			-1.10210e+01
Coefficient B			1.58624e+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.			282.62
Temperature range, max.			530.41
η	0.0044783	Pa×s	282.62	Calculated Property
η	0.0027211	Pa×s	310.16	Calculated Property
η	0.0017933	Pa×s	337.69	Calculated Property
η	0.0012585	Pa×s	365.22	Calculated Property
η	0.0009282	Pa×s	392.75	Calculated Property
η	0.0007124	Pa×s	420.29	Calculated Property
η	0.0005649	Pa×s	447.82	Calculated Property
η	0.0004601	Pa×s	475.35	Calculated Property
η	0.0003833	Pa×s	502.88	Calculated Property
η	0.0003254	Pa×s	530.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[401.60; 597.76]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.33964e+01
Coefficient B			-4.13821e+03
Coefficient C			-8.59180e+01
Temperature range, min.			401.60
Temperature range, max.			597.76
Pvap	1.33	kPa	401.60	Calculated Property
Pvap	3.11	kPa	423.40	Calculated Property
Pvap	6.54	kPa	445.19	Calculated Property
Pvap	12.64	kPa	466.99	Calculated Property
Pvap	22.75	kPa	488.78	Calculated Property
Pvap	38.54	kPa	510.58	Calculated Property
Pvap	62.02	kPa	532.37	Calculated Property
Pvap	95.47	kPa	554.17	Calculated Property
Pvap	141.44	kPa	575.96	Calculated Property
Pvap	202.65	kPa	597.76	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 1,6-diiodo-.

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

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