Chemical Properties of Pentane, 2-chloro-3-methyl-

InChI

InChI=1S/C6H13Cl/c1-4-5(2)6(3)7/h5-6H,4H2,1-3H3

InChI Key

JPFZKJQZKBEPGQ-UHFFFAOYSA-N

Formula

C6H13Cl

SMILES

CCC(C)C(C)Cl

Molecular Weight¹

120.62

Other Names

• Pentane, 2-chloro-3-methyl

• 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.
• 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	0.2903		Relay (1.0) Calculated Property
ΔfG°	-17.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-221.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.45	kJ/mol	Joback Calculated Property
ΔvapH°	39.77	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	2.660		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3035.62	kPa	Joback Calculated Property
Inp	[787.00; 787.00]
Inp	787.00		NIST
Inp	787.00		NIST
Tboil	390.05	K	Relay (1.0) Calculated Property
Tc	585.34	K	Relay (1.0) Calculated Property
Tfus	170.73	K	Relay (1.0) Calculated Property
Vc	0.389	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.54; 338.22]	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			6.96100e+00
Coefficient B			5.92460e-01
Coefficient C			-3.29400e-04
Coefficient D			6.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.54	J/mol×K	273.00	Calculated Property
Cp,gas	178.35	J/mol×K	353.78	Calculated Property
Cp,gas	207.81	J/mol×K	434.56	Calculated Property
Cp,gas	234.13	J/mol×K	515.33	Calculated Property
Cp,gas	257.53	J/mol×K	596.11	Calculated Property
Cp,gas	278.22	J/mol×K	676.89	Calculated Property
Cp,gas	296.42	J/mol×K	757.67	Calculated Property
Cp,gas	312.34	J/mol×K	838.44	Calculated Property
Cp,gas	326.20	J/mol×K	919.22	Calculated Property
Cp,gas	338.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0170744; 0.0002456]	Pa×s	[157.30; 387.88]	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			-1.12053e+01
Coefficient B			1.12236e+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.			157.30
Temperature range, max.			387.88
η	0.0170744	Pa×s	157.30	Calculated Property
η	0.0062854	Pa×s	182.92	Calculated Property
η	0.0029577	Pa×s	208.54	Calculated Property
η	0.0016414	Pa×s	234.16	Calculated Property
η	0.0010231	Pa×s	259.78	Calculated Property
η	0.0006942	Pa×s	285.40	Calculated Property
η	0.0005021	Pa×s	311.02	Calculated Property
η	0.0003815	Pa×s	336.64	Calculated Property
η	0.0003014	Pa×s	362.26	Calculated Property
η	0.0002456	Pa×s	387.88	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2-chloro-3-methyl-.

Sources

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

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