Chemical Properties of 5-Bromovaleric acid, 2-naphthyl ester

InChI

InChI=1S/C15H15BrO2/c16-10-4-3-7-15(17)18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2

InChI Key

SSXPSKQYEAPOEG-UHFFFAOYSA-N

Formula

C15H15BrO2

SMILES

O=C(CCCCBr)Oc1ccc2ccccc2c1

Molecular Weight¹

307.18

• 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).
• IE : Ionization energy (eV).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[258.31; 598.02]	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			-2.81960e+01
Coefficient B			1.27010e+00
Coefficient C			-8.69880e-04
Coefficient D			2.26000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.31	J/mol×K	273.00	Calculated Property
Cp,gas	322.27	J/mol×K	353.78	Calculated Property
Cp,gas	378.01	J/mol×K	434.56	Calculated Property
Cp,gas	426.25	J/mol×K	515.33	Calculated Property
Cp,gas	467.69	J/mol×K	596.11	Calculated Property
Cp,gas	503.05	J/mol×K	676.89	Calculated Property
Cp,gas	533.05	J/mol×K	757.67	Calculated Property
Cp,gas	558.40	J/mol×K	838.44	Calculated Property
Cp,gas	579.82	J/mol×K	919.22	Calculated Property
Cp,gas	598.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013074; 0.0002442]	Pa×s	[432.58; 664.05]	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			-1.14525e+01
Coefficient B			2.08194e+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.			432.58
Temperature range, max.			664.05
η	0.0013074	Pa×s	432.58	Calculated Property
η	0.0009980	Pa×s	458.30	Calculated Property
η	0.0007839	Pa×s	484.02	Calculated Property
η	0.0006310	Pa×s	509.74	Calculated Property
η	0.0005186	Pa×s	535.45	Calculated Property
η	0.0004340	Pa×s	561.17	Calculated Property
η	0.0003688	Pa×s	586.89	Calculated Property
η	0.0003178	Pa×s	612.61	Calculated Property
η	0.0002771	Pa×s	638.33	Calculated Property
η	0.0002442	Pa×s	664.05	Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric acid, 2-naphthyl 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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