Chemical Properties of Pentane, 3-iodo-3-methyl

InChI

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

InChI Key

CIDZNASUPYMQCG-UHFFFAOYSA-N

Formula

C6H13I

SMILES

CCC(C)(I)CC

Molecular Weight¹

212.07

• 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).
• 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	0.2780		Relay (1.0) Calculated Property
ΔfG°	60.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.29	kJ/mol	Joback Calculated Property
ΔvapH°	43.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-3.61		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	[958.00; 1023.00]
Inp	1023.00		NIST
Inp	958.00		NIST
Inp	1023.00		NIST
Inp	958.00		NIST
Ip	[1179.00; 1179.00]
Ip	1179.00		NIST
Ip	1179.00		NIST
Tboil	421.93	K	Relay (1.0) Calculated Property
Tc	653.71	K	Relay (1.0) Calculated Property
Tfus	184.54	K	Relay (1.0) Calculated Property
Vc	0.428	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

Similar Compounds

Find more compounds similar to Pentane, 3-iodo-3-methyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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