Chemical Properties of Bromoacetic acid, heptyl ester (CAS 18991-99-6)

InChI

InChI=1S/C9H17BrO2/c1-2-3-4-5-6-7-12-9(11)8-10/h2-8H2,1H3

InChI Key

SZZUXOYNCHATNT-UHFFFAOYSA-N

Formula

C9H17BrO2

SMILES

CCCCCCCOC(=O)CBr

Molecular Weight¹

237.13

CAS

18991-99-6

Other Names

• Heptyl bromoacetate

• ω : Acentric Factor.
• 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.
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.73; 500.83]	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			2.83070e+01
Coefficient B			8.42220e-01
Coefficient C			-4.42600e-04
Coefficient D			7.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.73	J/mol×K	273.00	Calculated Property
Cp,gas	274.10	J/mol×K	353.78	Calculated Property
Cp,gas	316.70	J/mol×K	434.56	Calculated Property
Cp,gas	354.77	J/mol×K	515.33	Calculated Property
Cp,gas	388.53	J/mol×K	596.11	Calculated Property
Cp,gas	418.22	J/mol×K	676.89	Calculated Property
Cp,gas	444.06	J/mol×K	757.67	Calculated Property
Cp,gas	466.29	J/mol×K	838.44	Calculated Property
Cp,gas	485.13	J/mol×K	919.22	Calculated Property
Cp,gas	500.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036893; 0.0002782]	Pa×s	[293.32; 500.35]	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			-1.18494e+01
Coefficient B			1.83238e+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.			293.32
Temperature range, max.			500.35
η	0.0036893	Pa×s	293.32	Calculated Property
η	0.0023423	Pa×s	316.32	Calculated Property
η	0.0015816	Pa×s	339.33	Calculated Property
η	0.0011226	Pa×s	362.33	Calculated Property
η	0.0008300	Pa×s	385.33	Calculated Property
η	0.0006350	Pa×s	408.33	Calculated Property
η	0.0004998	Pa×s	431.34	Calculated Property
η	0.0004031	Pa×s	454.34	Calculated Property
η	0.0003319	Pa×s	477.34	Calculated Property
η	0.0002782	Pa×s	500.35	Calculated Property

Similar Compounds

Find more compounds similar to Bromoacetic acid, heptyl ester.

Sources

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

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