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

• 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).
• 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
ΔfG°	2.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-229.47	kJ/mol	Joback Calculated Property
ΔfusH°	17.15	kJ/mol	Joback Calculated Property
ΔvapH°	37.40	kJ/mol	Joback Calculated Property
log10WS	-3.44		Crippen 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	1006.00		NIST
Inp	997.00		NIST
Inp	1006.00		NIST
Inp	997.00		NIST
Inp	1006.00		NIST
I	[1177.00; 1177.00]
I	1177.00		NIST
I	1177.00		NIST
Tboil	445.05 ± 1.00	K	NIST
Tc	594.11	K	Joback Calculated Property
Tfus	194.84	K	Joback Calculated Property
Vc	0.526	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.83; 334.03]	J/mol×K	[419.43; 594.11]
Cp,gas	262.83	J/mol×K	419.43	Joback Calculated Property
Cp,gas	275.97	J/mol×K	448.54	Joback Calculated Property
Cp,gas	288.58	J/mol×K	477.66	Joback Calculated Property
Cp,gas	300.68	J/mol×K	506.77	Joback Calculated Property
Cp,gas	312.27	J/mol×K	535.88	Joback Calculated Property
Cp,gas	323.39	J/mol×K	564.99	Joback Calculated Property
Cp,gas	334.03	J/mol×K	594.11	Joback Calculated Property
η	[0.0002677; 0.0088497]	Pa×s	[194.84; 419.43]
η	0.0088497	Pa×s	194.84	Joback Calculated Property
η	0.0030882	Pa×s	232.27	Joback Calculated Property
η	0.0014434	Pa×s	269.70	Joback Calculated Property
η	0.0008121	Pa×s	307.13	Joback Calculated Property
η	0.0005177	Pa×s	344.57	Joback Calculated Property
η	0.0003605	Pa×s	382.00	Joback Calculated Property
η	0.0002677	Pa×s	419.43	Joback Calculated Property
ΔvapH	47.80	kJ/mol	388.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[337.12; 470.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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