Chemical Properties of Propane, 1,1,2,3-tetrachloro-2-methyl- (CAS 18963-01-4)

InChI

InChI=1S/C4H6Cl4/c1-4(8,2-5)3(6)7/h3H,2H2,1H3

InChI Key

WAURADWXPYHJJA-UHFFFAOYSA-N

Formula

C4H6Cl4

SMILES

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

Molecular Weight¹

195.90

CAS

18963-01-4

Other Names

• 1,1,2,3-tetrachloro-2-methylpropane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.97	kJ/mol	Joback Calculated Property
logPoct/wat	3.026		Crippen Calculated Property
McVol	116.180	ml/mol	McGowan Calculated Property
Inp	[1047.00; 1047.00]
Inp	1047.00		NIST
Inp	1047.00		NIST
Tboil	464.10 ± 2.00	K	NIST
Tfus	227.00 ± 3.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.81; 227.06]	J/mol×K	[436.97; 653.13]
Cp,gas	187.81	J/mol×K	436.97	Joback Calculated Property
Cp,gas	195.82	J/mol×K	473.00	Joback Calculated Property
Cp,gas	203.18	J/mol×K	509.02	Joback Calculated Property
Cp,gas	209.95	J/mol×K	545.05	Joback Calculated Property
Cp,gas	216.16	J/mol×K	581.07	Joback Calculated Property
Cp,gas	221.85	J/mol×K	617.10	Joback Calculated Property
Cp,gas	227.06	J/mol×K	653.13	Joback Calculated Property
η	[0.0003989; 0.0083832]	Pa×s	[241.94; 436.97]
η	0.0083832	Pa×s	241.94	Joback Calculated Property
η	0.0037365	Pa×s	274.44	Joback Calculated Property
η	0.0019762	Pa×s	306.95	Joback Calculated Property
η	0.0011808	Pa×s	339.46	Joback Calculated Property
η	0.0007720	Pa×s	371.96	Joback Calculated Property
η	0.0005404	Pa×s	404.47	Joback Calculated Property
η	0.0003989	Pa×s	436.97	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[343.92; 493.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44875e+01
Coefficient B			-3.88901e+03
Coefficient C			-7.00450e+01
Temperature range, min.			343.92
Temperature range, max.			493.87
Pvap	1.33	kPa	343.92	Calculated Property
Pvap	3.01	kPa	360.58	Calculated Property
Pvap	6.22	kPa	377.24	Calculated Property
Pvap	11.93	kPa	393.90	Calculated Property
Pvap	21.47	kPa	410.56	Calculated Property
Pvap	36.58	kPa	427.23	Calculated Property
Pvap	59.42	kPa	443.89	Calculated Property
Pvap	92.62	kPa	460.55	Calculated Property
Pvap	139.22	kPa	477.21	Calculated Property
Pvap	202.66	kPa	493.87	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1,2,3-tetrachloro-2-methyl-.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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