Chemical Properties of Propane, 1,1,2-trichloro- (CAS 598-77-6)

InChI

InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3

InChI Key

GRSQYISVQKPZCW-UHFFFAOYSA-N

Formula

C3H5Cl3

SMILES

CC(Cl)C(Cl)Cl

Molecular Weight¹

147.43

CAS

598-77-6

Other Names

• 1,1,2-Trichloropropane

• 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°	-66.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-163.03	kJ/mol	Joback Calculated Property
ΔfusH°	9.07	kJ/mol	Joback Calculated Property
ΔvapH°	34.65	kJ/mol	Joback Calculated Property
log10WS	-2.26		Crippen Calculated Property
logPoct/wat	2.417		Crippen Calculated Property
McVol	89.850	ml/mol	McGowan Calculated Property
Pc	3901.37	kPa	Joback Calculated Property
Inp	827.00		NIST
Tboil	[404.65; 413.15]	K
Tboil	405.15 ± 1.50	K	NIST
Tboil	406.65 ± 2.50	K	NIST
Tboil	404.65 ± 2.00	K	NIST
Tboil	409.15 ± 2.00	K	NIST
Tboil	405.15 ± 2.00	K	NIST
Tboil	413.15 ± 6.00	K	NIST
Tc	580.63	K	Joback Calculated Property
Tfus	183.33	K	Joback Calculated Property
Vc	0.339	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.24; 161.96]	J/mol×K	[379.45; 580.63]
Cp,gas	130.24	J/mol×K	379.45	Joback Calculated Property
Cp,gas	136.30	J/mol×K	412.98	Joback Calculated Property
Cp,gas	142.03	J/mol×K	446.51	Joback Calculated Property
Cp,gas	147.46	J/mol×K	480.04	Joback Calculated Property
Cp,gas	152.58	J/mol×K	513.57	Joback Calculated Property
Cp,gas	157.41	J/mol×K	547.10	Joback Calculated Property
Cp,gas	161.96	J/mol×K	580.63	Joback Calculated Property
η	[0.0003785; 0.0106159]	Pa×s	[183.33; 379.45]
η	0.0106159	Pa×s	183.33	Joback Calculated Property
η	0.0040001	Pa×s	216.02	Joback Calculated Property
η	0.0019481	Pa×s	248.70	Joback Calculated Property
η	0.0011214	Pa×s	281.39	Joback Calculated Property
η	0.0007241	Pa×s	314.08	Joback Calculated Property
η	0.0005078	Pa×s	346.76	Joback Calculated Property
η	0.0003785	Pa×s	379.45	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[301.62; 432.79]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48036e+01
Coefficient B			-3.59762e+03
Coefficient C			-5.37820e+01
Temperature range, min.			301.62
Temperature range, max.			432.79
Pvap	1.33	kPa	301.62	Calculated Property
Pvap	2.99	kPa	316.19	Calculated Property
Pvap	6.14	kPa	330.77	Calculated Property
Pvap	11.76	kPa	345.34	Calculated Property
Pvap	21.16	kPa	359.92	Calculated Property
Pvap	36.09	kPa	374.49	Calculated Property
Pvap	58.76	kPa	389.07	Calculated Property
Pvap	91.88	kPa	403.64	Calculated Property
Pvap	138.63	kPa	418.22	Calculated Property
Pvap	202.63	kPa	432.79	Calculated Property

Similar Compounds

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

Sources

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

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