Chemical Properties of Propane, 1,2,3-trichloro-2-methyl- (CAS 1871-58-5)

InChI

InChI=1S/C4H7Cl3/c1-4(7,2-5)3-6/h2-3H2,1H3

InChI Key

XMCSILBVFPYTLC-UHFFFAOYSA-N

Formula

C4H7Cl3

SMILES

CC(Cl)(CCl)CCl

Molecular Weight¹

161.46

CAS

1871-58-5

Other Names

• 1,2,3-Trichloro-2-methylpropane
• 1,2,3-Trichloroisobutane

• 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.
• 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°	-50.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-181.86	kJ/mol	Joback Calculated Property
ΔfusH°	11.29	kJ/mol	Joback Calculated Property
ΔvapH°	36.36	kJ/mol	Joback Calculated Property
log10WS	-2.07		Crippen Calculated Property
logPoct/wat	2.462		Crippen Calculated Property
McVol	103.940	ml/mol	McGowan Calculated Property
Pc	3484.76	kPa	Joback Calculated Property
Inp	918.00		NIST
Tboil	[435.15; 435.70]	K
Tboil	435.15 ± 4.00	K	NIST
Tboil	435.15 ± 4.00	K	NIST
Tboil	435.70 ± 2.00	K	NIST
Tc	603.44	K	Joback Calculated Property
Tfus	227.02	K	Joback Calculated Property
Vc	0.396	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.83; 207.60]	J/mol×K	[399.98; 603.44]
Cp,gas	165.83	J/mol×K	399.98	Joback Calculated Property
Cp,gas	174.12	J/mol×K	433.89	Joback Calculated Property
Cp,gas	181.85	J/mol×K	467.80	Joback Calculated Property
Cp,gas	189.02	J/mol×K	501.71	Joback Calculated Property
Cp,gas	195.69	J/mol×K	535.62	Joback Calculated Property
Cp,gas	201.87	J/mol×K	569.53	Joback Calculated Property
Cp,gas	207.60	J/mol×K	603.44	Joback Calculated Property
η	[0.0004241; 0.0066063]	Pa×s	[227.02; 399.98]
η	0.0066063	Pa×s	227.02	Joback Calculated Property
η	0.0032302	Pa×s	255.85	Joback Calculated Property
η	0.0018257	Pa×s	284.67	Joback Calculated Property
η	0.0011461	Pa×s	313.50	Joback Calculated Property
η	0.0007781	Pa×s	342.33	Joback Calculated Property
η	0.0005611	Pa×s	371.15	Joback Calculated Property
η	0.0004241	Pa×s	399.98	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 216.42]	kPa	[327.22; 463.83]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52332e+01
Coefficient B			-3.95374e+03
Coefficient C			-6.26780e+01
Temperature range, min.			327.22
Temperature range, max.			463.83
Pvap	1.33	kPa	327.22	Calculated Property
Pvap	3.00	kPa	342.40	Calculated Property
Pvap	6.21	kPa	357.58	Calculated Property
Pvap	11.97	kPa	372.76	Calculated Property
Pvap	21.70	kPa	387.94	Calculated Property
Pvap	37.32	kPa	403.11	Calculated Property
Pvap	61.26	kPa	418.29	Calculated Property
Pvap	96.57	kPa	433.47	Calculated Property
Pvap	146.88	kPa	448.65	Calculated Property
Pvap	216.42	kPa	463.83	Calculated Property

Similar Compounds

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

Sources

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

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