Chemical Properties of Propane, 1,2,3-trichloro-2-(chloromethyl)- (CAS 18963-00-3)

InChI

InChI=1S/C4H6Cl4/c5-1-4(8,2-6)3-7/h1-3H2

InChI Key

CFLWPMRPCYBIIS-UHFFFAOYSA-N

Formula

C4H6Cl4

SMILES

ClCC(Cl)(CCl)CCl

Molecular Weight¹

195.90

CAS

18963-00-3

Other Names

• 1,2,3-trichloro-2-(chloromethyl)propane

• 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°	-62.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-197.60	kJ/mol	Joback Calculated Property
ΔfusH°	15.49	kJ/mol	Joback Calculated Property
ΔvapH°	40.74	kJ/mol	Joback Calculated Property
log10WS	-2.22		Crippen Calculated Property
logPoct/wat	2.680		Crippen Calculated Property
McVol	116.180	ml/mol	McGowan Calculated Property
Pc	3337.38	kPa	Joback Calculated Property
Inp	[1105.00; 1105.00]
Inp	1105.00		NIST
Inp	1105.00		NIST
Tboil	481.00 ± 6.00	K	NIST
Tc	648.40	K	Joback Calculated Property
Tfus	256.94	K	Joback Calculated Property
Vc	0.445	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.66; 225.73]	J/mol×K	[437.41; 648.40]
Cp,gas	187.66	J/mol×K	437.41	Joback Calculated Property
Cp,gas	195.38	J/mol×K	472.57	Joback Calculated Property
Cp,gas	202.50	J/mol×K	507.74	Joback Calculated Property
Cp,gas	209.05	J/mol×K	542.90	Joback Calculated Property
Cp,gas	215.09	J/mol×K	578.07	Joback Calculated Property
Cp,gas	220.63	J/mol×K	613.23	Joback Calculated Property
Cp,gas	225.73	J/mol×K	648.40	Joback Calculated Property
η	[0.0004168; 0.0055551]	Pa×s	[256.94; 437.41]
η	0.0055551	Pa×s	256.94	Joback Calculated Property
η	0.0028774	Pa×s	287.02	Joback Calculated Property
η	0.0016885	Pa×s	317.10	Joback Calculated Property
η	0.0010867	Pa×s	347.18	Joback Calculated Property
η	0.0007503	Pa×s	377.25	Joback Calculated Property
η	0.0005472	Pa×s	407.33	Joback Calculated Property
η	0.0004168	Pa×s	437.41	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 222.02]	kPa	[360.32; 514.72]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48307e+01
Coefficient B			-4.13861e+03
Coefficient C			-7.57440e+01
Temperature range, min.			360.32
Temperature range, max.			514.72
Pvap	1.33	kPa	360.32	Calculated Property
Pvap	3.05	kPa	377.48	Calculated Property
Pvap	6.37	kPa	394.63	Calculated Property
Pvap	12.37	kPa	411.79	Calculated Property
Pvap	22.49	kPa	428.94	Calculated Property
Pvap	38.70	kPa	446.10	Calculated Property
Pvap	63.47	kPa	463.25	Calculated Property
Pvap	99.82	kPa	480.41	Calculated Property
Pvap	151.31	kPa	497.56	Calculated Property
Pvap	222.02	kPa	514.72	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,2,3-trichloro-2-(chloromethyl)-.

Sources

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

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