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

• ω : Acentric Factor.
• 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).
• 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.
• 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	0.2762		Relay (1.0) Calculated Property
ΔfG°	60.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.29	kJ/mol	Joback Calculated Property
ΔvapH°	43.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) 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
Ip	[1171.00; 1171.00]
Ip	1171.00		NIST
Ip	1171.00		NIST
Tboil	420.41	K	Relay (1.0) Calculated Property
Tc	644.09	K	Relay (1.0) Calculated Property
Tfus	173.27	K	Relay (1.0) Calculated Property
Vc	0.442	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.38; 339.51]	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			-1.53480e+01
Coefficient B			7.38660e-01
Coefficient C			-5.55800e-04
Coefficient D			1.72000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.38	J/mol×K	273.00	Calculated Property
Cp,gas	184.03	J/mol×K	353.78	Calculated Property
Cp,gas	214.80	J/mol×K	434.56	Calculated Property
Cp,gas	241.24	J/mol×K	515.33	Calculated Property
Cp,gas	263.91	J/mol×K	596.11	Calculated Property
Cp,gas	283.33	J/mol×K	676.89	Calculated Property
Cp,gas	300.06	J/mol×K	757.67	Calculated Property
Cp,gas	314.64	J/mol×K	838.44	Calculated Property
Cp,gas	327.61	J/mol×K	919.22	Calculated Property
Cp,gas	339.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0104269; 0.0003226]	Pa×s	[217.86; 448.87]	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			-1.13171e+01
Coefficient B			1.47136e+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.			217.86
Temperature range, max.			448.87
η	0.0104269	Pa×s	217.86	Calculated Property
η	0.0051169	Pa×s	243.53	Calculated Property
η	0.0028761	Pa×s	269.20	Calculated Property
η	0.0017872	Pa×s	294.86	Calculated Property
η	0.0011985	Pa×s	320.53	Calculated Property
η	0.0008528	Pa×s	346.20	Calculated Property
η	0.0006359	Pa×s	371.87	Calculated Property
η	0.0004926	Pa×s	397.54	Calculated Property
η	0.0003935	Pa×s	423.20	Calculated Property
η	0.0003226	Pa×s	448.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[332.00; 476.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.