Chemical Properties of Octane, 2,3-bis-(trichloromethyl)

InChI

InChI=1S/C10H16Cl6/c1-3-4-5-6-8(10(14,15)16)7(2)9(11,12)13/h7-8H,3-6H2,1-2H3

InChI Key

JYFLTEYKFGSUIS-UHFFFAOYSA-N

Formula

C10H16Cl6

SMILES

CCCCCC(C(C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Molecular Weight¹

348.96

• 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).
• 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).
• I_np : Non-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	0.4609		Relay (1.0) Calculated Property
ΔfG°	-37.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-311.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.96	kJ/mol	Joback Calculated Property
ΔvapH°	74.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-6.97		Relay (1.0) Calculated Property
logPoct/wat	6.559		Crippen Calculated Property
McVol	225.200	ml/mol	McGowan Calculated Property
Pc	1816.95	kPa	Joback Calculated Property
Inp	[1774.00; 1774.00]
Inp	1774.00		NIST
Inp	1774.00		NIST
Tboil	555.01	K	Relay (1.0) Calculated Property
Tc	759.22	K	Relay (1.0) Calculated Property
Tfus	274.63	K	Relay (1.0) Calculated Property
Vc	0.778	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.50; 588.87]	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			1.88340e+01
Coefficient B			1.25804e+00
Coefficient C			-9.92600e-04
Coefficient D			3.04600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.50	J/mol×K	273.00	Calculated Property
Cp,gas	353.16	J/mol×K	353.78	Calculated Property
Cp,gas	403.08	J/mol×K	434.56	Calculated Property
Cp,gas	445.23	J/mol×K	515.33	Calculated Property
Cp,gas	480.57	J/mol×K	596.11	Calculated Property
Cp,gas	510.07	J/mol×K	676.89	Calculated Property
Cp,gas	534.68	J/mol×K	757.67	Calculated Property
Cp,gas	555.38	J/mol×K	838.44	Calculated Property
Cp,gas	573.12	J/mol×K	919.22	Calculated Property
Cp,gas	588.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039773; 0.0001498]	Pa×s	[356.82; 607.31]	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			-1.34771e+01
Coefficient B			2.83668e+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.			356.82
Temperature range, max.			607.31
η	0.0039773	Pa×s	356.82	Calculated Property
η	0.0022375	Pa×s	384.65	Calculated Property
η	0.0013604	Pa×s	412.49	Calculated Property
η	0.0008808	Pa×s	440.32	Calculated Property
η	0.0006005	Pa×s	468.15	Calculated Property
η	0.0004274	Pa×s	495.98	Calculated Property
η	0.0003154	Pa×s	523.82	Calculated Property
η	0.0002400	Pa×s	551.65	Calculated Property
η	0.0001875	Pa×s	579.48	Calculated Property
η	0.0001498	Pa×s	607.31	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2,3-bis-(trichloromethyl).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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