Chemical Properties of Propane, 1,1,1,2-tetrachloro-2-methyl- (CAS 7086-07-9)

InChI

InChI=1S/C4H6Cl4/c1-3(2,5)4(6,7)8/h1-2H3

InChI Key

PKPINLDBKJAFHQ-UHFFFAOYSA-N

Formula

C4H6Cl4

SMILES

CC(C)(Cl)C(Cl)(Cl)Cl

Molecular Weight¹

195.90

CAS

7086-07-9

Other Names

• 1,1,1,2-tetrachloro-2-methylpropane

• 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).
• P_vap : Vapor 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	0.2437		Relay (1.0) Calculated Property
ΔfG°	-59.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-204.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.08	kJ/mol	Joback Calculated Property
ΔvapH°	45.38	kJ/mol	Relay (1.0) Calculated Property
IE	10.70	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	3.374		Crippen Calculated Property
McVol	116.180	ml/mol	McGowan Calculated Property
Pc	3411.87	kPa	Joback Calculated Property
Inp	[978.00; 978.00]
Inp	978.00		NIST
Inp	978.00		NIST
Tboil	427.31	K	Relay (1.0) Calculated Property
Tc	644.04	K	Relay (1.0) Calculated Property
Tfus	[452.25; 452.30]	K
Tfus	452.25 ± 1.50	K	NIST
Tfus	452.30 ± 1.50	K	NIST
Vc	0.416	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.04; 261.71]	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			1.87000e+00
Coefficient B			6.62640e-01
Coefficient C			-6.19000e-04
Coefficient D			2.16200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.04	J/mol×K	273.00	Calculated Property
Cp,gas	168.40	J/mol×K	353.78	Calculated Property
Cp,gas	190.67	J/mol×K	434.56	Calculated Property
Cp,gas	208.55	J/mol×K	515.33	Calculated Property
Cp,gas	222.71	J/mol×K	596.11	Calculated Property
Cp,gas	233.84	J/mol×K	676.89	Calculated Property
Cp,gas	242.62	J/mol×K	757.67	Calculated Property
Cp,gas	249.74	J/mol×K	838.44	Calculated Property
Cp,gas	255.87	J/mol×K	919.22	Calculated Property
Cp,gas	261.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003684; 0.0003370]	Pa×s	[452.27; 462.33]	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			-1.20044e+01
Coefficient B			1.85344e+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.			452.27
Temperature range, max.			462.33
η	0.0003684	Pa×s	452.27	Calculated Property
η	0.0003647	Pa×s	453.39	Calculated Property
η	0.0003611	Pa×s	454.51	Calculated Property
η	0.0003575	Pa×s	455.63	Calculated Property
η	0.0003539	Pa×s	456.74	Calculated Property
η	0.0003504	Pa×s	457.86	Calculated Property
η	0.0003470	Pa×s	458.98	Calculated Property
η	0.0003436	Pa×s	460.09	Calculated Property
η	0.0003403	Pa×s	461.21	Calculated Property
η	0.0003370	Pa×s	462.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[136.62; 1676.85]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			5.53851e+00
Coefficient B			-3.65455e+02
Coefficient C			-6.70210e+01
Temperature range, min.			136.62
Temperature range, max.			1676.85
Pvap	1.33	kPa	136.62	Calculated Property
Pvap	55.73	kPa	307.76	Calculated Property
Pvap	104.71	kPa	478.89	Calculated Property
Pvap	135.87	kPa	650.03	Calculated Property
Pvap	156.63	kPa	821.17	Calculated Property
Pvap	171.32	kPa	992.30	Calculated Property
Pvap	182.22	kPa	1163.44	Calculated Property
Pvap	190.60	kPa	1334.58	Calculated Property
Pvap	197.25	kPa	1505.71	Calculated Property
Pvap	202.65	kPa	1676.85	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1,1,2-tetrachloro-2-methyl-.

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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