Chemical Properties of 1,1,3-trichlorobutane (CAS 13279-87-3)

InChI

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

InChI Key

GSBUVYHAANRCNO-UHFFFAOYSA-N

Formula

C4H7Cl3

SMILES

CC(Cl)CC(Cl)Cl

Molecular Weight¹

161.46

CAS

13279-87-3

• 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).
• 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

Property	Value	Unit	Source
ω	0.3280		Relay (1.0) Calculated Property
ΔfG°	-57.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.66	kJ/mol	Joback Calculated Property
ΔvapH°	49.64	kJ/mol	Relay (1.0) Calculated Property
IE	10.54	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	2.807		Crippen Calculated Property
McVol	103.940	ml/mol	McGowan Calculated Property
Pc	3472.45	kPa	Joback Calculated Property
Tboil	[423.00; 423.00]	K
Tboil	423.00 ± 4.00	K	NIST
Tboil	423.00 ± 3.00	K	NIST
Tc	628.35	K	Relay (1.0) Calculated Property
Tfus	208.90	K	Relay (1.0) Calculated Property
Vc	0.374	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.69; 203.87]	J/mol×K	[402.33; 601.91]
Cp,gas	163.69	J/mol×K	402.33	Joback Calculated Property
Cp,gas	171.34	J/mol×K	435.59	Joback Calculated Property
Cp,gas	178.58	J/mol×K	468.86	Joback Calculated Property
Cp,gas	185.45	J/mol×K	502.12	Joback Calculated Property
Cp,gas	191.94	J/mol×K	535.38	Joback Calculated Property
Cp,gas	198.08	J/mol×K	568.64	Joback Calculated Property
Cp,gas	203.87	J/mol×K	601.91	Joback Calculated Property
η	[0.0003596; 0.0106392]	Pa×s	[194.60; 402.33]
η	0.0106392	Pa×s	194.60	Joback Calculated Property
η	0.0039497	Pa×s	229.22	Joback Calculated Property
η	0.0019018	Pa×s	263.84	Joback Calculated Property
η	0.0010849	Pa×s	298.47	Joback Calculated Property
η	0.0006955	Pa×s	333.09	Joback Calculated Property
η	0.0004848	Pa×s	367.71	Joback Calculated Property
η	0.0003596	Pa×s	402.33	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 225.48]	kPa	[318.42; 452.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53354e+01
Coefficient B			-3.89439e+03
Coefficient C			-5.96200e+01
Temperature range, min.			318.42
Temperature range, max.			452.31
Pvap	1.33	kPa	318.42	Calculated Property
Pvap	3.02	kPa	333.30	Calculated Property
Pvap	6.29	kPa	348.17	Calculated Property
Pvap	12.19	kPa	363.05	Calculated Property
Pvap	22.21	kPa	377.93	Calculated Property
Pvap	38.36	kPa	392.80	Calculated Property
Pvap	63.22	kPa	407.68	Calculated Property
Pvap	100.01	kPa	422.56	Calculated Property
Pvap	152.59	kPa	437.43	Calculated Property
Pvap	225.48	kPa	452.31	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,3-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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