Chemical Properties of Acetic acid, tribromo, 3-methylbutyl ester

InChI

InChI=1S/C7H11Br3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3

InChI Key

MQOMZSFUDDSYJF-UHFFFAOYSA-N

Formula

C7H11Br3O2

SMILES

CC(C)CCOC(=O)C(Br)(Br)Br

Molecular Weight¹

366.87

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• 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	-344.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.59	kJ/mol	Joback Calculated Property
ΔvapH°	62.96	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	3.414		Crippen Calculated Property
McVol	169.430	ml/mol	McGowan Calculated Property
Pc	3857.88	kPa	Joback Calculated Property
Inp	[1492.00; 1492.00]
Inp	1492.00		NIST
Inp	1492.00		NIST
Tboil	528.71	K	Relay (1.0) Calculated Property
Tc	704.34	K	Relay (1.0) Calculated Property
Tfus	243.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[347.87; 397.29]	J/mol×K	[630.66; 866.79]
Cp,gas	347.87	J/mol×K	630.66	Joback Calculated Property
Cp,gas	357.83	J/mol×K	670.01	Joback Calculated Property
Cp,gas	367.01	J/mol×K	709.37	Joback Calculated Property
Cp,gas	375.48	J/mol×K	748.72	Joback Calculated Property
Cp,gas	383.30	J/mol×K	788.08	Joback Calculated Property
Cp,gas	390.55	J/mol×K	827.43	Joback Calculated Property
Cp,gas	397.29	J/mol×K	866.79	Joback Calculated Property
η	[0.0001894; 0.0016153]	Pa×s	[407.63; 630.66]
η	0.0016153	Pa×s	407.63	Joback Calculated Property
η	0.0009734	Pa×s	444.80	Joback Calculated Property
η	0.0006342	Pa×s	481.97	Joback Calculated Property
η	0.0004394	Pa×s	519.14	Joback Calculated Property
η	0.0003197	Pa×s	556.32	Joback Calculated Property
η	0.0002421	Pa×s	593.49	Joback Calculated Property
η	0.0001894	Pa×s	630.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, tribromo, 3-methylbutyl ester.

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.