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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-440.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.78	kJ/mol	Joback Calculated Property
ΔvapH°	62.84	kJ/mol	Relay (1.0) Calculated Property
IE	10.31	eV	Relay (1.0) Calculated Property
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	2.692		Crippen Calculated Property
McVol	151.930	ml/mol	McGowan Calculated Property
Pc	3337.38	kPa	Joback Calculated Property
Inp	1296.00		NIST
I	[1807.00; 1807.00]
I	1807.00		NIST
I	1807.00		NIST
Tboil	507.01	K	Relay (1.0) Calculated Property
Tc	693.38	K	Relay (1.0) Calculated Property
Tfus	256.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.16; 367.37]	J/mol×K	[549.42; 761.68]
Cp,gas	310.16	J/mol×K	549.42	Joback Calculated Property
Cp,gas	321.30	J/mol×K	584.80	Joback Calculated Property
Cp,gas	331.76	J/mol×K	620.17	Joback Calculated Property
Cp,gas	341.58	J/mol×K	655.55	Joback Calculated Property
Cp,gas	350.77	J/mol×K	690.93	Joback Calculated Property
Cp,gas	359.36	J/mol×K	726.30	Joback Calculated Property
Cp,gas	367.37	J/mol×K	761.68	Joback Calculated Property
η	[0.0002260; 0.0046337]	Pa×s	[300.58; 549.42]
η	0.0046337	Pa×s	300.58	Joback Calculated Property
η	0.0020643	Pa×s	342.05	Joback Calculated Property
η	0.0010954	Pa×s	383.53	Joback Calculated Property
η	0.0006577	Pa×s	425.00	Joback Calculated Property
η	0.0004325	Pa×s	466.47	Joback Calculated Property
η	0.0003045	Pa×s	507.95	Joback Calculated Property
η	0.0002260	Pa×s	549.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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