Chemical Properties of Hexane, 2-chloro- (CAS 638-28-8)

InChI

InChI=1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3

InChI Key

GLCIPJOIEVLTPR-UHFFFAOYSA-N

Formula

C6H13Cl

SMILES

CCCCC(C)Cl

Molecular Weight¹

120.62

CAS

638-28-8

Other Names

• 2-Chlorohexane
• 2-Hexyl chloride

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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 : 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	0.3260		Relay (1.0) Calculated Property
ΔfG°	-14.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-206.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.97	kJ/mol	Joback Calculated Property
ΔvapH°	43.82 ± 0.06	kJ/mol	NIST
IE	10.32	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	2.804		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3009.03	kPa	Joback Calculated Property
Inp	[796.00; 809.00]
Inp	809.00		NIST
Inp	796.00		NIST
Inp	809.00		NIST
Inp	809.00		NIST
I	[959.00; 978.00]
I	959.00		NIST
I	969.00		NIST
I	967.00		NIST
I	978.00		NIST
I	959.00		NIST
Tboil	[395.00; 399.15]	K
Tboil	396.65 ± 4.00	K	NIST
Tboil	396.15 ± 3.00	K	NIST
Tboil	399.15 ± 3.00	K	NIST
Tboil	395.00 ± 6.00	K	NIST
Tc	579.12	K	Relay (1.0) Calculated Property
Tfus	174.59	K	Relay (1.0) Calculated Property
Vc	0.409	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.85; 337.68]	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			8.64300e+00
Coefficient B			5.86540e-01
Coefficient C			-3.26200e-04
Coefficient D			6.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.85	J/mol×K	273.00	Calculated Property
Cp,gas	178.36	J/mol×K	353.78	Calculated Property
Cp,gas	207.57	J/mol×K	434.56	Calculated Property
Cp,gas	233.68	J/mol×K	515.33	Calculated Property
Cp,gas	256.92	J/mol×K	596.11	Calculated Property
Cp,gas	277.51	J/mol×K	676.89	Calculated Property
Cp,gas	295.67	J/mol×K	757.67	Calculated Property
Cp,gas	311.60	J/mol×K	838.44	Calculated Property
Cp,gas	325.53	J/mol×K	919.22	Calculated Property
Cp,gas	337.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0084225; 0.0002597]	Pa×s	[172.30; 385.21]	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			-1.10713e+01
Coefficient B			1.08454e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			172.30
Temperature range, max.			385.21
η	0.0084225	Pa×s	172.30	Calculated Property
η	0.0039393	Pa×s	195.96	Calculated Property
η	0.0021702	Pa×s	219.61	Calculated Property
η	0.0013426	Pa×s	243.27	Calculated Property
η	0.0009044	Pa×s	266.93	Calculated Property
η	0.0006497	Pa×s	290.59	Calculated Property
η	0.0004905	Pa×s	314.24	Calculated Property
η	0.0003852	Pa×s	337.90	Calculated Property
η	0.0003123	Pa×s	361.56	Calculated Property
η	0.0002597	Pa×s	385.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[298.72; 428.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48776e+01
Coefficient B			-3.60611e+03
Coefficient C			-5.15580e+01
Temperature range, min.			298.72
Temperature range, max.			428.52
Pvap	1.33	kPa	298.72	Calculated Property
Pvap	2.98	kPa	313.14	Calculated Property
Pvap	6.12	kPa	327.56	Calculated Property
Pvap	11.72	kPa	341.99	Calculated Property
Pvap	21.08	kPa	356.41	Calculated Property
Pvap	35.98	kPa	370.83	Calculated Property
Pvap	58.62	kPa	385.25	Calculated Property
Pvap	91.72	kPa	399.68	Calculated Property
Pvap	138.50	kPa	414.10	Calculated Property
Pvap	202.63	kPa	428.52	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2-chloro-.

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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