Chemical Properties of Octane, 2-chloro- (CAS 628-61-5)

InChI

InChI=1S/C8H17Cl/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

InChI Key

HKDCIIMOALDWHF-UHFFFAOYSA-N

Formula

C8H17Cl

SMILES

CCCCCCC(C)Cl

Molecular Weight¹

148.67

CAS

628-61-5

Other Names

• 1-Methylheptyl chloride
• 2-Chlorooctane
• 2-Octyl 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_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	0.4200		Relay (1.0) Calculated Property
ΔfG°	2.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-250.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.15	kJ/mol	Joback Calculated Property
ΔvapH°	51.02	kJ/mol	Relay (1.0) Calculated Property
IE	10.14	eV	Relay (1.0) Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	3.584		Crippen Calculated Property
McVol	135.820	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback Calculated Property
Inp	[997.00; 1006.00]
Inp	997.00		NIST
Inp	1006.00		NIST
Inp	997.00		NIST
Inp	1006.00		NIST
Inp	1006.00		NIST
Ip	[1177.00; 1177.00]
Ip	1177.00		NIST
Ip	1177.00		NIST
Tboil	445.05 ± 1.00	K	NIST
Tc	627.30	K	Relay (1.0) Calculated Property
Tfus	208.14	K	Relay (1.0) Calculated Property
Vc	0.523	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.28; 440.86]	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			6.82500e+00
Coefficient B			7.76540e-01
Coefficient C			-4.35000e-04
Coefficient D			9.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.28	J/mol×K	273.00	Calculated Property
Cp,gas	231.20	J/mol×K	353.78	Calculated Property
Cp,gas	269.72	J/mol×K	434.56	Calculated Property
Cp,gas	304.14	J/mol×K	515.33	Calculated Property
Cp,gas	334.75	J/mol×K	596.11	Calculated Property
Cp,gas	361.84	J/mol×K	676.89	Calculated Property
Cp,gas	385.70	J/mol×K	757.67	Calculated Property
Cp,gas	406.63	J/mol×K	838.44	Calculated Property
Cp,gas	424.92	J/mol×K	919.22	Calculated Property
Cp,gas	440.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088497; 0.0002744]	Pa×s	[194.84; 416.07]	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			-1.12602e+01
Coefficient B			1.27286e+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.			194.84
Temperature range, max.			416.07
η	0.0088497	Pa×s	194.84	Calculated Property
η	0.0042568	Pa×s	219.42	Calculated Property
η	0.0023729	Pa×s	244.00	Calculated Property
η	0.0014721	Pa×s	268.58	Calculated Property
η	0.0009894	Pa×s	293.17	Calculated Property
η	0.0007071	Pa×s	317.75	Calculated Property
η	0.0005303	Pa×s	342.33	Calculated Property
η	0.0004134	Pa×s	366.91	Calculated Property
η	0.0003325	Pa×s	391.49	Calculated Property
η	0.0002744	Pa×s	416.07	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[337.12; 470.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55412e+01
Coefficient B			-4.15231e+03
Coefficient C			-6.49020e+01
Temperature range, min.			337.12
Temperature range, max.			470.81
Pvap	1.33	kPa	337.12	Calculated Property
Pvap	2.94	kPa	351.97	Calculated Property
Pvap	5.98	kPa	366.83	Calculated Property
Pvap	11.40	kPa	381.68	Calculated Property
Pvap	20.50	kPa	396.54	Calculated Property
Pvap	35.07	kPa	411.39	Calculated Property
Pvap	57.39	kPa	426.25	Calculated Property
Pvap	90.35	kPa	441.10	Calculated Property
Pvap	137.40	kPa	455.96	Calculated Property
Pvap	202.66	kPa	470.81	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 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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