Chemical Properties of Benzene, (3,3,3-trichloro-1-methylenepropyl)

InChI

InChI=1S/C10H9Cl3/c1-8(7-10(11,12)13)9-5-3-2-4-6-9/h2-6H,1,7H2

InChI Key

JNHUFDXYWPRKLK-UHFFFAOYSA-N

Formula

C10H9Cl3

SMILES

C=C(CC(Cl)(Cl)Cl)c1ccccc1

Molecular Weight¹

235.54

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	53.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	63.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
logPoct/wat	4.460		Crippen Calculated Property
McVol	160.420	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[1495.00; 1495.00]
Inp	1495.00		NIST
Inp	1495.00		NIST
Inp	1495.00		NIST
Tboil	530.48	K	Relay (1.0) Calculated Property
Tc	761.06	K	Relay (1.0) Calculated Property
Tfus	285.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.46; 414.21]	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			-2.85890e+01
Coefficient B			1.00100e+00
Coefficient C			-8.09600e-04
Coefficient D			2.51400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.46	J/mol×K	273.00	Calculated Property
Cp,gas	235.35	J/mol×K	353.78	Calculated Property
Cp,gas	274.15	J/mol×K	434.56	Calculated Property
Cp,gas	306.66	J/mol×K	515.33	Calculated Property
Cp,gas	333.68	J/mol×K	596.11	Calculated Property
Cp,gas	356.00	J/mol×K	676.89	Calculated Property
Cp,gas	374.42	J/mol×K	757.67	Calculated Property
Cp,gas	389.73	J/mol×K	838.44	Calculated Property
Cp,gas	402.73	J/mol×K	919.22	Calculated Property
Cp,gas	414.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (3,3,3-trichloro-1-methylenepropyl).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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