Chemical Properties of 1,2,3-trichloro-2-methylbutane (CAS 62521-69-1)

InChI

InChI=1S/C5H9Cl3/c1-4(7)5(2,8)3-6/h4H,3H2,1-2H3

InChI Key

COVUHNFVZQTXPD-UHNVWZDZSA-N

Formula

C5H9Cl3

SMILES

CC(Cl)C(C)(Cl)CCl

Molecular Weight¹

175.48

CAS

62521-69-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.06; 252.60]	J/mol×K	[422.62; 629.09]
Cp,gas	202.06	J/mol×K	422.62	Joback Calculated Property
Cp,gas	212.04	J/mol×K	457.03	Joback Calculated Property
Cp,gas	221.35	J/mol×K	491.44	Joback Calculated Property
Cp,gas	230.03	J/mol×K	525.85	Joback Calculated Property
Cp,gas	238.10	J/mol×K	560.27	Joback Calculated Property
Cp,gas	245.61	J/mol×K	594.68	Joback Calculated Property
Cp,gas	252.60	J/mol×K	629.09	Joback Calculated Property
η	[0.0003722; 0.0103343]	Pa×s	[223.29; 422.62]
η	0.0103343	Pa×s	223.29	Joback Calculated Property
η	0.0041486	Pa×s	256.51	Joback Calculated Property
η	0.0020532	Pa×s	289.73	Joback Calculated Property
η	0.0011743	Pa×s	322.96	Joback Calculated Property
η	0.0007455	Pa×s	356.18	Joback Calculated Property
η	0.0005114	Pa×s	389.40	Joback Calculated Property
η	0.0003722	Pa×s	422.62	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[343.22; 472.06]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60336e+01
Coefficient B			-4.32987e+03
Coefficient C			-6.82380e+01
Temperature range, min.			343.22
Temperature range, max.			472.06
Pvap	1.33	kPa	343.22	Calculated Property
Pvap	2.91	kPa	357.54	Calculated Property
Pvap	5.89	kPa	371.85	Calculated Property
Pvap	11.19	kPa	386.17	Calculated Property
Pvap	20.11	kPa	400.48	Calculated Property
Pvap	34.46	kPa	414.80	Calculated Property
Pvap	56.56	kPa	429.11	Calculated Property
Pvap	89.40	kPa	443.43	Calculated Property
Pvap	136.63	kPa	457.74	Calculated Property
Pvap	202.63	kPa	472.06	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.