Chemical Properties of 1,1,3-Trichloropropane (CAS 20395-25-9)

InChI

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

InChI Key

URWHLZCXYCQNSY-UHFFFAOYSA-N

Formula

C3H5Cl3

SMILES

ClCCC(Cl)Cl

Molecular Weight¹

147.43

CAS

20395-25-9

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-63.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-144.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.59	kJ/mol	Joback Calculated Property
ΔvapH°	47.22	kJ/mol	Relay (1.0) Calculated Property
IE	10.90	eV	Relay (1.0) Calculated Property
log10WS	-1.80		Relay (1.0) Calculated Property
logPoct/wat	2.419		Crippen Calculated Property
McVol	89.850	ml/mol	McGowan Calculated Property
Pc	3862.67	kPa	Joback Calculated Property
Tboil	[416.65; 421.15]	K
Tboil	418.70 ± 0.50	K	NIST
Tboil	421.15 ± 2.00	K	NIST
Tboil	416.65 ± 3.00	K	NIST
Tboil	420.00 ± 3.00	K	NIST
Tc	632.17	K	Relay (1.0) Calculated Property
Tfus	214.17 ± 0.60	K	NIST

Cheméo can also estimate Critical Volume, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.02; 199.45]	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			3.71520e+01
Coefficient B			3.15100e-01
Coefficient C			-2.03800e-04
Coefficient D			5.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.02	J/mol×K	273.00	Calculated Property
Cp,gas	125.38	J/mol×K	353.78	Calculated Property
Cp,gas	139.78	J/mol×K	434.56	Calculated Property
Cp,gas	152.39	J/mol×K	515.33	Calculated Property
Cp,gas	163.37	J/mol×K	596.11	Calculated Property
Cp,gas	172.88	J/mol×K	676.89	Calculated Property
Cp,gas	181.08	J/mol×K	757.67	Calculated Property
Cp,gas	188.14	J/mol×K	838.44	Calculated Property
Cp,gas	194.21	J/mol×K	919.22	Calculated Property
Cp,gas	199.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040186; 0.0003272]	Pa×s	[214.17; 403.52]	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			-1.08616e+01
Coefficient B			1.14470e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			214.17
Temperature range, max.			403.52
η	0.0040186	Pa×s	214.17	Calculated Property
η	0.0024914	Pa×s	235.21	Calculated Property
η	0.0016708	Pa×s	256.25	Calculated Property
η	0.0011905	Pa×s	277.29	Calculated Property
η	0.0008898	Pa×s	298.33	Calculated Property
η	0.0006910	Pa×s	319.36	Calculated Property
η	0.0005537	Pa×s	340.40	Calculated Property
η	0.0004553	Pa×s	361.44	Calculated Property
η	0.0003825	Pa×s	382.48	Calculated Property
η	0.0003272	Pa×s	403.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[312.46; 444.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50095e+01
Coefficient B			-3.75277e+03
Coefficient C			-5.75490e+01
Temperature range, min.			312.46
Temperature range, max.			444.51
Pvap	1.33	kPa	312.46	Calculated Property
Pvap	2.97	kPa	327.13	Calculated Property
Pvap	6.09	kPa	341.80	Calculated Property
Pvap	11.65	kPa	356.48	Calculated Property
Pvap	20.96	kPa	371.15	Calculated Property
Pvap	35.79	kPa	385.82	Calculated Property
Pvap	58.36	kPa	400.49	Calculated Property
Pvap	91.43	kPa	415.17	Calculated Property
Pvap	138.27	kPa	429.84	Calculated Property
Pvap	202.63	kPa	444.51	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,3-Trichloropropane.

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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