Chemical Properties of Pentane, 2-iodo-2-methyl (CAS 31294-95-8)

InChI

InChI=1S/C6H13I/c1-4-5-6(2,3)7/h4-5H2,1-3H3

InChI Key

KCNIMEJTKUGMLA-UHFFFAOYSA-N

Formula

C6H13I

SMILES

CCCC(C)(C)I

Molecular Weight¹

212.07

CAS

31294-95-8

Other Names

• 2-Iodo-2-methylpentane

• 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°	60.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.05	kJ/mol	Joback Calculated Property
ΔfusH°	8.29	kJ/mol	Joback Calculated Property
ΔvapH°	37.03	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	3096.73	kPa	Joback Calculated Property
Inp	[960.00; 960.00]
Inp	960.00		NIST
Inp	960.00		NIST
I	[1171.00; 1171.00]
I	1171.00		NIST
I	1171.00		NIST
Tboil	426.59	K	Joback Calculated Property
Tc	640.95	K	Joback Calculated Property
Tfus	217.86	K	Joback Calculated Property
Vc	0.449	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.97; 275.05]	J/mol×K	[426.59; 640.95]
T(K) Ideal gas heat capacity (J/mol×K) 210 220 230 240 250 260 270 280 450 500 550 600
Cp,gas	211.97	J/mol×K	426.59	Joback Calculated Property
Cp,gas	224.35	J/mol×K	462.32	Joback Calculated Property
Cp,gas	235.92	J/mol×K	498.04	Joback Calculated Property
Cp,gas	246.73	J/mol×K	533.77	Joback Calculated Property
Cp,gas	256.82	J/mol×K	569.49	Joback Calculated Property
Cp,gas	266.25	J/mol×K	605.22	Joback Calculated Property
Cp,gas	275.05	J/mol×K	640.95	Joback Calculated Property
η	[0.0003828; 0.0104269]	Pa×s	[217.86; 426.59]
T(K) Dynamic viscosity (Pa×s) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 250 300 350 400
η	0.0104269	Pa×s	217.86	Joback Calculated Property
η	0.0041142	Pa×s	252.65	Joback Calculated Property
η	0.0020332	Pa×s	287.44	Joback Calculated Property
η	0.0011699	Pa×s	322.23	Joback Calculated Property
η	0.0007498	Pa×s	357.01	Joback Calculated Property
η	0.0005200	Pa×s	391.80	Joback Calculated Property
η	0.0003828	Pa×s	426.59	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[332.00; 476.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46093e+01
Coefficient B			-3.82093e+03
Coefficient C			-6.52070e+01
Temperature range, min.			332.00
Temperature range, max.			476.16
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450
Pvap	1.33	kPa	332.00	Calculated Property
Pvap	3.00	kPa	348.02	Calculated Property
Pvap	6.19	kPa	364.04	Calculated Property
Pvap	11.86	kPa	380.05	Calculated Property
Pvap	21.35	kPa	396.07	Calculated Property
Pvap	36.39	kPa	412.09	Calculated Property
Pvap	59.17	kPa	428.11	Calculated Property
Pvap	92.34	kPa	444.12	Calculated Property
Pvap	139.00	kPa	460.14	Calculated Property
Pvap	202.67	kPa	476.16	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2-iodo-2-methyl.

Sources

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

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