Chemical Properties of Propane, 1,2,3-trichloro- (CAS 96-18-4)

InChI

InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2

InChI Key

CFXQEHVMCRXUSD-UHFFFAOYSA-N

Formula

C3H5Cl3

SMILES

ClCC(Cl)CCl

Molecular Weight¹

147.43

CAS

96-18-4

Other Names

• 1,2,3-Trichloropropane
• ALLYL TRICHLORIDE
• GLYCEROL TRICHLOROHYDRIN
• Glyceryl trichlorohydrin
• NCI-C60220
• NSC 35403
• Trichlorohydrin

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3100		KDB
ΔcH°liquid	[-1735.40; -1727.60]	kJ/mol
ΔcH°liquid	-1735.00 ± 0.80	kJ/mol	NIST
ΔcH°liquid	-1735.40 ± 1.30	kJ/mol	NIST
ΔcH°liquid	-1727.60 ± 1.80	kJ/mol	NIST
μ	1.60	debye	KDB
ΔfG°	-97.85	kJ/mol	KDB
ΔfH°gas	[-185.90; -183.00]	kJ/mol
ΔfH°gas	-185.90	kJ/mol	KDB
ΔfH°gas	-183.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-230.00 ± 0.80	kJ/mol	NIST
ΔfusH°	12.59	kJ/mol	Joback Calculated Property
ΔvapH°	47.80 ± 0.10	kJ/mol	NIST
log10WS	-1.92		Aq. Sol...
logPoct/wat	2.071		Crippen Calculated Property
McVol	89.850	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	3		KDB
Pc	3950.00	kPa	KDB
Inp	[878.40; 945.00]
Inp	878.40		NIST
Inp	883.00		NIST
Inp	924.00		NIST
Inp	938.00		NIST
Inp	890.00		NIST
Inp	899.00		NIST
Inp	945.00		NIST
Inp	899.00		NIST
Inp	910.00		NIST
Inp	910.00		NIST
I	[1420.00; 1455.00]
I	1420.00		NIST
I	1455.00		NIST
Tboil	429.00	K	KDB
Tc	651.00	K	KDB
Tfus	[258.45; 259.40]	K
Tfus	258.50	K	KDB
Tfus	258.58	K	Aq. Sol...
Tfus	258.45	K	NIST
Tfus	259.40 ± 0.60	K	NIST
Vc	0.348	m3/kmol	KDB
Zc	0.2539560		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.24; 160.80]	J/mol×K	[379.89; 576.15]
Cp,gas	130.24	J/mol×K	379.89	Joback Calculated Property
Cp,gas	136.05	J/mol×K	412.60	Joback Calculated Property
Cp,gas	141.56	J/mol×K	445.31	Joback Calculated Property
Cp,gas	146.78	J/mol×K	478.02	Joback Calculated Property
Cp,gas	151.72	J/mol×K	510.73	Joback Calculated Property
Cp,gas	156.39	J/mol×K	543.44	Joback Calculated Property
Cp,gas	160.80	J/mol×K	576.15	Joback Calculated Property
Cp,liquid	[172.80; 183.60]	J/mol×K	[298.00; 298.00]
Cp,liquid	172.80	J/mol×K	298.00	NIST
Cp,liquid	183.60	J/mol×K	298.00	NIST
η	[0.0003904; 0.0061584]	Pa×s	[198.33; 379.89]
η	0.0061584	Pa×s	198.33	Joback Calculated Property
η	0.0028685	Pa×s	228.59	Joback Calculated Property
η	0.0015974	Pa×s	258.85	Joback Calculated Property
η	0.0010055	Pa×s	289.11	Joback Calculated Property
η	0.0006910	Pa×s	319.37	Joback Calculated Property
η	0.0005067	Pa×s	349.63	Joback Calculated Property
η	0.0003904	Pa×s	379.89	Joback Calculated Property
ΔvapH	[38.41; 48.00]	kJ/mol	[293.00; 429.00]
ΔvapH	48.00 ± 1.00	kJ/mol	293.00	NIST
ΔvapH	46.80	kJ/mol	356.50	NIST
ΔvapH	43.00	kJ/mol	395.00	NIST
ΔvapH	43.00	kJ/mol	407.00	NIST
ΔvapH	38.41	kJ/mol	429.00	KDB
ρl	1389.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 209.43]	kPa	[321.50; 456.34]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51253e+01
Coefficient B			-3.86982e+03
Coefficient C			-6.06900e+01
Temperature range, min.			321.50
Temperature range, max.			456.34
Pvap	1.33	kPa	321.50	Calculated Property
Pvap	2.99	kPa	336.48	Calculated Property
Pvap	6.15	kPa	351.46	Calculated Property
Pvap	11.81	kPa	366.45	Calculated Property
Pvap	21.33	kPa	381.43	Calculated Property
Pvap	36.54	kPa	396.41	Calculated Property
Pvap	59.79	kPa	411.39	Calculated Property
Pvap	93.97	kPa	426.38	Calculated Property
Pvap	142.51	kPa	441.36	Calculated Property
Pvap	209.43	kPa	456.34	Calculated Property
Pvap	[0.03; 3737.09]	kPa	[258.45; 652.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.16678e+01
Coefficient B			-7.35551e+03
Coefficient C			-6.65548e+00
Coefficient D			2.27606e-06
Temperature range, min.			258.45
Temperature range, max.			652.00
Pvap	0.03	kPa	258.45	Calculated Property
Pvap	0.62	kPa	302.18	Calculated Property
Pvap	5.85	kPa	345.91	Calculated Property
Pvap	31.00	kPa	389.63	Calculated Property
Pvap	111.37	kPa	433.36	Calculated Property
Pvap	304.70	kPa	477.09	Calculated Property
Pvap	685.01	kPa	520.82	Calculated Property
Pvap	1332.50	kPa	564.54	Calculated Property
Pvap	2325.43	kPa	608.27	Calculated Property
Pvap	3737.09	kPa	652.00	Calculated Property

Similar Compounds

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

Mixtures

• Propane, 1,2,3-trichloro- + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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