Chemical Properties of 2-Chloro-2-methylpentane (CAS 4325-48-8)

InChI

InChI=1S/C6H13Cl/c1-4-5-6(2,3)7/h4-5H2,1-3H3

InChI Key

NXXHAWKBICGUCK-UHFFFAOYSA-N

Formula

C6H13Cl

SMILES

CCCC(C)(C)Cl

Molecular Weight¹

120.62

CAS

4325-48-8

• 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_fH°_liquid : Liquid phase 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_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	0.2715		Relay (1.0) Calculated Property
ΔfG°	-9.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.06	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-264.00 ± 2.00	kJ/mol	NIST
ΔfusH°	8.08	kJ/mol	Joback Calculated Property
ΔvapH°	37.91	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	2.804		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3045.68	kPa	Joback Calculated Property
Inp	[763.00; 811.00]
Inp	807.00		NIST
Inp	811.00		NIST
Inp	763.00		NIST
Inp	766.54		NIST
Inp	767.00		NIST
Inp	763.00		NIST
Inp	807.00		NIST
Inp	763.00		NIST
Inp	766.54		NIST
Ip	[898.00; 916.00]
Ip	898.00		NIST
Ip	916.00		NIST
Ip	899.00		NIST
Tboil	[384.15; 384.65]	K
Tboil	384.15 ± 3.00	K	NIST
Tboil	384.65 ± 2.00	K	NIST
Tc	576.09	K	Relay (1.0) Calculated Property
Tfus	181.41	K	Relay (1.0) Calculated Property
Vc	0.398	m3/kmol	Relay (1.0) Calculated Property

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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.71; 338.61]	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			-1.41480e+01
Coefficient B			7.06460e-01
Coefficient C			-4.94800e-04
Coefficient D			1.41100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.71	J/mol×K	273.00	Calculated Property
Cp,gas	180.10	J/mol×K	353.78	Calculated Property
Cp,gas	210.99	J/mol×K	434.56	Calculated Property
Cp,gas	237.82	J/mol×K	515.33	Calculated Property
Cp,gas	261.04	J/mol×K	596.11	Calculated Property
Cp,gas	281.10	J/mol×K	676.89	Calculated Property
Cp,gas	298.44	J/mol×K	757.67	Calculated Property
Cp,gas	313.51	J/mol×K	838.44	Calculated Property
Cp,gas	326.75	J/mol×K	919.22	Calculated Property
Cp,gas	338.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0092209; 0.0002862]	Pa×s	[189.72; 388.61]	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			-1.14713e+01
Coefficient B			1.28726e+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.			189.72
Temperature range, max.			388.61
η	0.0092209	Pa×s	189.72	Calculated Property
η	0.0045431	Pa×s	211.82	Calculated Property
η	0.0025587	Pa×s	233.92	Calculated Property
η	0.0015912	Pa×s	256.02	Calculated Property
η	0.0010671	Pa×s	278.11	Calculated Property
η	0.0007590	Pa×s	300.21	Calculated Property
η	0.0005657	Pa×s	322.31	Calculated Property
η	0.0004378	Pa×s	344.41	Calculated Property
η	0.0003495	Pa×s	366.51	Calculated Property
η	0.0002862	Pa×s	388.61	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[288.72; 406.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55387e+01
Coefficient B			-3.67000e+03
Coefficient C			-4.80830e+01
Temperature range, min.			288.72
Temperature range, max.			406.93
Pvap	1.33	kPa	288.72	Calculated Property
Pvap	2.94	kPa	301.85	Calculated Property
Pvap	5.98	kPa	314.99	Calculated Property
Pvap	11.40	kPa	328.12	Calculated Property
Pvap	20.50	kPa	341.26	Calculated Property
Pvap	35.07	kPa	354.39	Calculated Property
Pvap	57.40	kPa	367.53	Calculated Property
Pvap	90.36	kPa	380.66	Calculated Property
Pvap	137.41	kPa	393.80	Calculated Property
Pvap	202.67	kPa	406.93	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-2-methylpentane.

Sources

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

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