Chemical Properties of 1,2,3-Trichlorobutane (CAS 18338-40-4)

InChI

InChI=1S/C4H7Cl3/c1-3(6)4(7)2-5/h3-4H,2H2,1H3

InChI Key

RMZZAEDPBSKZOM-UHFFFAOYSA-N

Formula

C4H7Cl3

SMILES

CC(Cl)C(Cl)CCl

Molecular Weight¹

161.46

CAS

18338-40-4

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.74; 203.92]	J/mol×K	[402.53; 602.20]
Cp,gas	163.74	J/mol×K	402.53	Joback Calculated Property
Cp,gas	171.38	J/mol×K	435.81	Joback Calculated Property
Cp,gas	178.63	J/mol×K	469.09	Joback Calculated Property
Cp,gas	185.50	J/mol×K	502.37	Joback Calculated Property
Cp,gas	191.99	J/mol×K	535.65	Joback Calculated Property
Cp,gas	198.13	J/mol×K	568.93	Joback Calculated Property
Cp,gas	203.92	J/mol×K	602.20	Joback Calculated Property
η	[0.0003590; 0.0106392]	Pa×s	[194.60; 402.53]
η	0.0106392	Pa×s	194.60	Joback Calculated Property
η	0.0039465	Pa×s	229.26	Joback Calculated Property
η	0.0018995	Pa×s	263.91	Joback Calculated Property
η	0.0010834	Pa×s	298.56	Joback Calculated Property
η	0.0006944	Pa×s	333.22	Joback Calculated Property
η	0.0004840	Pa×s	367.88	Joback Calculated Property
η	0.0003590	Pa×s	402.53	Joback Calculated Property
ΔvapH	41.30	kJ/mol	357.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[328.82; 465.92]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50433e+01
Coefficient B			-3.91890e+03
Coefficient C			-6.32340e+01
Temperature range, min.			328.82
Temperature range, max.			465.92
Pvap	1.33	kPa	328.82	Calculated Property
Pvap	2.97	kPa	344.05	Calculated Property
Pvap	6.09	kPa	359.29	Calculated Property
Pvap	11.63	kPa	374.52	Calculated Property
Pvap	20.93	kPa	389.75	Calculated Property
Pvap	35.74	kPa	404.99	Calculated Property
Pvap	58.30	kPa	420.22	Calculated Property
Pvap	91.36	kPa	435.45	Calculated Property
Pvap	138.21	kPa	450.69	Calculated Property
Pvap	202.63	kPa	465.92	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Trichlorobutane.

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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