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

• 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	0.2994		Relay (1.0) Calculated Property
ΔfG°	-50.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.29	kJ/mol	Joback Calculated Property
ΔvapH°	46.87	kJ/mol	Relay (1.0) Calculated Property
IE	10.36	eV	Relay (1.0) Calculated Property
log10WS	-2.77		Relay (1.0) 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	658.72	K	Relay (1.0) Calculated Property
Tfus	249.75	K	Relay (1.0) Calculated Property
Vc	0.368	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.09; 251.97]	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			1.34520e+01
Coefficient B			5.30020e-01
Coefficient C			-4.26800e-04
Coefficient D			1.35300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.09	J/mol×K	273.00	Calculated Property
Cp,gas	153.53	J/mol×K	353.78	Calculated Property
Cp,gas	174.28	J/mol×K	434.56	Calculated Property
Cp,gas	191.76	J/mol×K	515.33	Calculated Property
Cp,gas	206.40	J/mol×K	596.11	Calculated Property
Cp,gas	218.63	J/mol×K	676.89	Calculated Property
Cp,gas	228.87	J/mol×K	757.67	Calculated Property
Cp,gas	237.56	J/mol×K	838.44	Calculated Property
Cp,gas	245.11	J/mol×K	919.22	Calculated Property
Cp,gas	251.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066063; 0.0003496]	Pa×s	[227.02; 422.62]	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			-1.13697e+01
Coefficient B			1.44158e+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.			227.02
Temperature range, max.			422.62
η	0.0066063	Pa×s	227.02	Calculated Property
η	0.0037932	Pa×s	248.75	Calculated Property
η	0.0023811	Pa×s	270.49	Calculated Property
η	0.0016019	Pa×s	292.22	Calculated Property
η	0.0011385	Pa×s	313.95	Calculated Property
η	0.0008457	Pa×s	335.69	Calculated Property
η	0.0006513	Pa×s	357.42	Calculated Property
η	0.0005169	Pa×s	379.16	Calculated Property
η	0.0004206	Pa×s	400.89	Calculated Property
η	0.0003496	Pa×s	422.62	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 216.42]	kPa	[327.22; 463.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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