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°	23.17	kJ/mol	Joback Calculated Property
ΔvapH°	63.94	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	3668.65	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	707.95	K	Relay (1.0) Calculated Property
Tfus	238.54	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	[346.30; 396.25]	J/mol×K	[612.79; 846.94]
Cp,gas	346.30	J/mol×K	612.79	Joback Calculated Property
Cp,gas	356.55	J/mol×K	651.81	Joback Calculated Property
Cp,gas	365.94	J/mol×K	690.84	Joback Calculated Property
Cp,gas	374.54	J/mol×K	729.86	Joback Calculated Property
Cp,gas	382.41	J/mol×K	768.89	Joback Calculated Property
Cp,gas	389.63	J/mol×K	807.91	Joback Calculated Property
Cp,gas	396.25	J/mol×K	846.94	Joback Calculated Property
η	[0.0001747; 0.0021920]	Pa×s	[377.80; 612.79]
η	0.0021920	Pa×s	377.80	Joback Calculated Property
η	0.0011797	Pa×s	416.97	Joback Calculated Property
η	0.0007062	Pa×s	456.13	Joback Calculated Property
η	0.0004584	Pa×s	495.29	Joback Calculated Property
η	0.0003171	Pa×s	534.46	Joback Calculated Property
η	0.0002306	Pa×s	573.62	Joback Calculated Property
η	0.0001747	Pa×s	612.79	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.
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