Chemical Properties of Acetic acid, dibromo, 1,1-dimethylpropyl ester

InChI

InChI=1S/C7H12Br2O2/c1-4-7(2,3)11-6(10)5(8)9/h5H,4H2,1-3H3

InChI Key

PAVSJRNSWFMTBQ-UHFFFAOYSA-N

Formula

C7H12Br2O2

SMILES

CCC(C)(C)OC(=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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[196.51; 408.72]	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			1.21610e+01
Coefficient B			8.22160e-01
Coefficient C			-5.80200e-04
Coefficient D			1.54600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.51	J/mol×K	273.00	Calculated Property
Cp,gas	237.25	J/mol×K	353.78	Calculated Property
Cp,gas	272.56	J/mol×K	434.56	Calculated Property
Cp,gas	302.92	J/mol×K	515.33	Calculated Property
Cp,gas	328.84	J/mol×K	596.11	Calculated Property
Cp,gas	350.78	J/mol×K	676.89	Calculated Property
Cp,gas	369.26	J/mol×K	757.67	Calculated Property
Cp,gas	384.75	J/mol×K	838.44	Calculated Property
Cp,gas	397.74	J/mol×K	919.22	Calculated Property
Cp,gas	408.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040777; 0.0002399]	Pa×s	[318.00; 537.30]	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			-1.24431e+01
Coefficient B			2.20720e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			318.00
Temperature range, max.			537.30
η	0.0040777	Pa×s	318.00	Calculated Property
η	0.0024881	Pa×s	342.37	Calculated Property
η	0.0016212	Pa×s	366.73	Calculated Property
η	0.0011143	Pa×s	391.10	Calculated Property
η	0.0008003	Pa×s	415.47	Calculated Property
η	0.0005962	Pa×s	439.83	Calculated Property
η	0.0004582	Pa×s	464.20	Calculated Property
η	0.0003614	Pa×s	488.57	Calculated Property
η	0.0002916	Pa×s	512.93	Calculated Property
η	0.0002399	Pa×s	537.30	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, dibromo, 1,1-dimethylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.