Chemical Properties of bromo(2H3)methane (CAS 1111-88-2)

InChI

InChI=1S/CH3Br/c1-2/h1H3/i1D3

InChI Key

GZUXJHMPEANEGY-FIBGUPNXSA-N

Formula

CH3Br

SMILES

[2H]C([2H])([2H])Br

Molecular Weight¹

97.96

CAS

1111-88-2

Other Names

• Methylbromide-d3

• 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).
• 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

Cheméo can also estimate Critical Volume, Acentric Factor 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	[40.68; 79.99]	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			1.01700e+01
Coefficient B			1.37020e-01
Coefficient C			-1.02000e-04
Coefficient D			3.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	40.68	J/mol×K	273.00	Calculated Property
Cp,gas	47.42	J/mol×K	353.78	Calculated Property
Cp,gas	53.31	J/mol×K	434.56	Calculated Property
Cp,gas	58.46	J/mol×K	515.33	Calculated Property
Cp,gas	62.98	J/mol×K	596.11	Calculated Property
Cp,gas	66.98	J/mol×K	676.89	Calculated Property
Cp,gas	70.57	J/mol×K	757.67	Calculated Property
Cp,gas	73.86	J/mol×K	838.44	Calculated Property
Cp,gas	76.96	J/mol×K	919.22	Calculated Property
Cp,gas	79.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022698; 0.0002500]	Pa×s	[160.83; 331.39]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.03745e+01
Coefficient B			6.89380e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			160.83
Temperature range, max.			331.39
η	0.0022698	Pa×s	160.83	Calculated Property
η	0.0014446	Pa×s	179.78	Calculated Property
η	0.0010022	Pa×s	198.73	Calculated Property
η	0.0007409	Pa×s	217.68	Calculated Property
η	0.0005750	Pa×s	236.64	Calculated Property
η	0.0004633	Pa×s	255.59	Calculated Property
η	0.0003846	Pa×s	274.54	Calculated Property
η	0.0003270	Pa×s	293.49	Calculated Property
η	0.0002836	Pa×s	312.44	Calculated Property
η	0.0002500	Pa×s	331.39	Calculated Property

Similar Compounds

Find more compounds similar to bromo(2H3)methane.

Sources

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

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