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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.66; 407.79]	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			3.49520e+01
Coefficient B			7.02240e-01
Coefficient C			-4.11600e-04
Coefficient D			8.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.66	J/mol×K	273.00	Calculated Property
Cp,gas	235.51	J/mol×K	353.78	Calculated Property
Cp,gas	269.13	J/mol×K	434.56	Calculated Property
Cp,gas	298.78	J/mol×K	515.33	Calculated Property
Cp,gas	324.72	J/mol×K	596.11	Calculated Property
Cp,gas	347.20	J/mol×K	676.89	Calculated Property
Cp,gas	366.49	J/mol×K	757.67	Calculated Property
Cp,gas	382.84	J/mol×K	838.44	Calculated Property
Cp,gas	396.52	J/mol×K	919.22	Calculated Property
Cp,gas	407.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046337; 0.0002526]	Pa×s	[300.58; 533.18]	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			-1.20431e+01
Coefficient B			2.00448e+03
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.			300.58
Temperature range, max.			533.18
η	0.0046337	Pa×s	300.58	Calculated Property
η	0.0027329	Pa×s	326.42	Calculated Property
η	0.0017417	Pa×s	352.27	Calculated Property
η	0.0011805	Pa×s	378.11	Calculated Property
η	0.0008409	Pa×s	403.96	Calculated Property
η	0.0006240	Pa×s	429.80	Calculated Property
η	0.0004790	Pa×s	455.64	Calculated Property
η	0.0003782	Pa×s	481.49	Calculated Property
η	0.0003059	Pa×s	507.33	Calculated Property
η	0.0002526	Pa×s	533.18	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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