Chemical Properties of Benzene, (1-bromo-3,3,3-trichloropropyl)

InChI

InChI=1S/C9H8BrCl3/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h1-5,8H,6H2

InChI Key

GYXDKVQPLSJHKZ-UHFFFAOYSA-N

Formula

C9H8BrCl3

SMILES

ClC(Cl)(Cl)CC(Br)c1ccccc1

Molecular Weight¹

302.43

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	20.05	kJ/mol	Joback Calculated Property
ΔvapH°	69.80	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.883		Crippen Calculated Property
McVol	168.130	ml/mol	McGowan Calculated Property
Inp	[1618.00; 1618.00]
Inp	1618.00		NIST
Inp	1618.00		NIST
Tboil	563.60	K	Relay (1.0) Calculated Property
Tfus	333.73	K	Relay (1.0) Calculated Property

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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.75; 383.18]	J/mol×K	[606.98; 865.96]
Cp,gas	330.75	J/mol×K	606.98	Joback Calculated Property
Cp,gas	341.96	J/mol×K	650.14	Joback Calculated Property
Cp,gas	352.02	J/mol×K	693.31	Joback Calculated Property
Cp,gas	361.05	J/mol×K	736.47	Joback Calculated Property
Cp,gas	369.17	J/mol×K	779.63	Joback Calculated Property
Cp,gas	376.51	J/mol×K	822.80	Joback Calculated Property
Cp,gas	383.18	J/mol×K	865.96	Joback Calculated Property
η	[0.0001963; 0.0028062]	Pa×s	[354.59; 606.98]
η	0.0028062	Pa×s	354.59	Joback Calculated Property
η	0.0014239	Pa×s	396.66	Joback Calculated Property
η	0.0008229	Pa×s	438.72	Joback Calculated Property
η	0.0005235	Pa×s	480.79	Joback Calculated Property
η	0.0003581	Pa×s	522.85	Joback Calculated Property
η	0.0002593	Pa×s	564.91	Joback Calculated Property
η	0.0001963	Pa×s	606.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-bromo-3,3,3-trichloropropyl).

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
• 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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