Chemical Properties of Formic acid, (2-bromophenyl)methyl ester

InChI

InChI=1S/C8H7BrO2/c9-8-4-2-1-3-7(8)5-11-6-10/h1-4,6H,5H2

InChI Key

FIPRKZMBEQTZDG-UHFFFAOYSA-N

Formula

C8H7BrO2

SMILES

O=COCc1ccccc1Br

Molecular Weight¹

215.04

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.46	kJ/mol	Joback Calculated Property
logPoct/wat	2.122		Crippen Calculated Property
McVol	124.760	ml/mol	McGowan Calculated Property
Inp	[1366.00; 1366.00]
Inp	1366.00		NIST
Inp	1366.00		NIST
Tboil	521.86	K	Relay (1.0) Calculated Property
Tfus	271.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[145.29; 311.54]	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			-1.07990e+01
Coefficient B			7.11900e-01
Coefficient C			-5.59760e-04
Coefficient D			1.70200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.29	J/mol×K	273.00	Calculated Property
Cp,gas	178.53	J/mol×K	353.78	Calculated Property
Cp,gas	206.82	J/mol×K	434.56	Calculated Property
Cp,gas	230.71	J/mol×K	515.33	Calculated Property
Cp,gas	250.72	J/mol×K	596.11	Calculated Property
Cp,gas	267.39	J/mol×K	676.89	Calculated Property
Cp,gas	281.28	J/mol×K	757.67	Calculated Property
Cp,gas	292.90	J/mol×K	838.44	Calculated Property
Cp,gas	302.81	J/mol×K	919.22	Calculated Property
Cp,gas	311.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019022; 0.0004703]	Pa×s	[337.36; 537.47]	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			-1.00181e+01
Coefficient B			1.26625e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			337.36
Temperature range, max.			537.47
η	0.0019022	Pa×s	337.36	Calculated Property
η	0.0015082	Pa×s	359.59	Calculated Property
η	0.0012286	Pa×s	381.83	Calculated Property
η	0.0010237	Pa×s	404.06	Calculated Property
η	0.0008693	Pa×s	426.30	Calculated Property
η	0.0007503	Pa×s	448.53	Calculated Property
η	0.0006566	Pa×s	470.77	Calculated Property
η	0.0005816	Pa×s	493.00	Calculated Property
η	0.0005206	Pa×s	515.24	Calculated Property
η	0.0004703	Pa×s	537.47	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, (2-bromophenyl)methyl 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

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