Chemical Properties of Hexane, 3-iodo- (CAS 31294-91-4)

InChI

InChI=1S/C6H13I/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3

InChI Key

QQKICFXKOIDMSQ-UHFFFAOYSA-N

Formula

C6H13I

SMILES

CCCC(I)CC

Molecular Weight¹

212.07

CAS

31294-91-4

Other Names

• 3-Iodohexane

• 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).
• 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 : 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
ΔfG°	55.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-95.58	kJ/mol	Joback Calculated Property
ΔfusH°	12.18	kJ/mol	Joback Calculated Property
ΔvapH°	37.94	kJ/mol	Joback Calculated Property
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	3.000		Crippen Calculated Property
McVol	121.220	ml/mol	McGowan Calculated Property
Pc	3059.17	kPa	Joback Calculated Property
Inp	[972.00; 1036.00]
Inp	1036.00		NIST
Inp	972.00		NIST
Inp	972.00		NIST
Inp	1036.00		NIST
I	[1182.00; 1182.00]
I	1182.00		NIST
I	1182.00		NIST
Tboil	429.38	K	Joback Calculated Property
Tc	634.59	K	Joback Calculated Property
Tfus	200.44	K	Joback Calculated Property
Vc	0.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.62; 269.61]	J/mol×K	[429.38; 634.59]
Cp,gas	209.62	J/mol×K	429.38	Joback Calculated Property
Cp,gas	220.99	J/mol×K	463.58	Joback Calculated Property
Cp,gas	231.78	J/mol×K	497.78	Joback Calculated Property
Cp,gas	242.02	J/mol×K	531.98	Joback Calculated Property
Cp,gas	251.72	J/mol×K	566.18	Joback Calculated Property
Cp,gas	260.91	J/mol×K	600.38	Joback Calculated Property
Cp,gas	269.61	J/mol×K	634.59	Joback Calculated Property
η	[0.0003483; 0.0101753]	Pa×s	[200.44; 429.38]
η	0.0101753	Pa×s	200.44	Joback Calculated Property
η	0.0036980	Pa×s	238.60	Joback Calculated Property
η	0.0017766	Pa×s	276.75	Joback Calculated Property
η	0.0010195	Pa×s	314.91	Joback Calculated Property
η	0.0006596	Pa×s	353.07	Joback Calculated Property
η	0.0004646	Pa×s	391.22	Joback Calculated Property
η	0.0003483	Pa×s	429.38	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[327.92; 477.67]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41725e+01
Coefficient B			-3.66743e+03
Coefficient C			-6.37900e+01
Temperature range, min.			327.92
Temperature range, max.			477.67
Pvap	1.33	kPa	327.92	Calculated Property
Pvap	3.04	kPa	344.56	Calculated Property
Pvap	6.30	kPa	361.20	Calculated Property
Pvap	12.12	kPa	377.84	Calculated Property
Pvap	21.80	kPa	394.48	Calculated Property
Pvap	37.09	kPa	411.11	Calculated Property
Pvap	60.11	kPa	427.75	Calculated Property
Pvap	93.38	kPa	444.39	Calculated Property
Pvap	139.81	kPa	461.03	Calculated Property
Pvap	202.64	kPa	477.67	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 3-iodo-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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