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

InChI

InChI=1S/C7H12Br2O2/c1-5(2)3-4-11-7(10)6(8)9/h5-6H,3-4H2,1-2H3

InChI Key

YFVZXEFPWZTPNG-UHFFFAOYSA-N

Formula

C7H12Br2O2

SMILES

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

Molecular Weight¹

287.98

• 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).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-202.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-390.51	kJ/mol	Joback Calculated Property
ΔfusH°	20.20	kJ/mol	Joback Calculated Property
ΔvapH°	52.43	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	2.692		Crippen Calculated Property
McVol	151.930	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Inp	1296.00		NIST
I	[1807.00; 1807.00]
I	1807.00		NIST
I	1807.00		NIST
Tboil	567.29	K	Joback Calculated Property
Tc	782.01	K	Joback Calculated Property
Tfus	330.41	K	Joback Calculated Property
Vc	0.564	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.74; 368.94]	J/mol×K	[567.29; 782.01]
Cp,gas	312.74	J/mol×K	567.29	Joback Calculated Property
Cp,gas	323.57	J/mol×K	603.08	Joback Calculated Property
Cp,gas	333.79	J/mol×K	638.86	Joback Calculated Property
Cp,gas	343.42	J/mol×K	674.65	Joback Calculated Property
Cp,gas	352.47	J/mol×K	710.44	Joback Calculated Property
Cp,gas	360.97	J/mol×K	746.23	Joback Calculated Property
Cp,gas	368.94	J/mol×K	782.01	Joback Calculated Property
η	[0.0002442; 0.0029934]	Pa×s	[330.41; 567.29]
η	0.0029934	Pa×s	330.41	Joback Calculated Property
η	0.0015774	Pa×s	369.89	Joback Calculated Property
η	0.0009406	Pa×s	409.37	Joback Calculated Property
η	0.0006143	Pa×s	448.85	Joback Calculated Property
η	0.0004298	Pa×s	488.33	Joback Calculated Property
η	0.0003172	Pa×s	527.81	Joback Calculated Property
η	0.0002442	Pa×s	567.29	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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