Chemical Properties of Octane, 4-chloro- (CAS 999-07-5)

InChI

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

InChI Key

SRGMFDQMGOZQPO-UHFFFAOYSA-N

Formula

C8H17Cl

SMILES

CCCCC(Cl)CCC

Molecular Weight¹

148.67

CAS

999-07-5

Other Names

• 4-Chlorooctane

• 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).
• 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; 997.00]
Inp	997.00		NIST
Inp	997.00		NIST
I	[1149.00; 1149.00]
I	1149.00		NIST
I	1149.00		NIST
Tboil	419.43	K	Joback Calculated Property
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[336.12; 480.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47709e+01
Coefficient B			-3.92812e+03
Coefficient C			-6.49020e+01
Temperature range, min.			336.12
Temperature range, max.			480.16
Pvap	1.33	kPa	336.12	Calculated Property
Pvap	2.99	kPa	352.12	Calculated Property
Pvap	6.15	kPa	368.13	Calculated Property
Pvap	11.77	kPa	384.13	Calculated Property
Pvap	21.19	kPa	400.14	Calculated Property
Pvap	36.14	kPa	416.14	Calculated Property
Pvap	58.83	kPa	432.15	Calculated Property
Pvap	91.96	kPa	448.15	Calculated Property
Pvap	138.68	kPa	464.16	Calculated Property
Pvap	202.63	kPa	480.16	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 4-chloro-.

Sources

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

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