Chemical Properties of 6-Bromohexanoic acid, 2-naphthyl ester

InChI

InChI=1S/C16H17BrO2/c17-11-5-1-2-8-16(18)19-15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12H,1-2,5,8,11H2

InChI Key

XQCOAGSPTVBHIO-UHFFFAOYSA-N

Formula

C16H17BrO2

SMILES

O=C(CCCCCBr)Oc1ccc2ccccc2c1

Molecular Weight¹

321.21

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	37.52	kJ/mol	Joback Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
logPoct/wat	4.700		Crippen Calculated Property
McVol	218.020	ml/mol	McGowan Calculated Property
Inp	[2418.00; 2418.00]
Inp	2418.00		NIST
Inp	2418.00		NIST
Tboil	660.75	K	Relay (1.0) Calculated Property
Tfus	337.27	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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.61; 641.90]	J/mol×K	[740.70; 967.48]
Cp,gas	571.61	J/mol×K	740.70	Joback Calculated Property
Cp,gas	585.70	J/mol×K	778.50	Joback Calculated Property
Cp,gas	598.74	J/mol×K	816.29	Joback Calculated Property
Cp,gas	610.80	J/mol×K	854.09	Joback Calculated Property
Cp,gas	621.96	J/mol×K	891.89	Joback Calculated Property
Cp,gas	632.30	J/mol×K	929.69	Joback Calculated Property
Cp,gas	641.90	J/mol×K	967.48	Joback Calculated Property
η	[0.0001718; 0.0012259]	Pa×s	[443.85; 740.70]
η	0.0012259	Pa×s	443.85	Joback Calculated Property
η	0.0007497	Pa×s	493.33	Joback Calculated Property
η	0.0005015	Pa×s	542.80	Joback Calculated Property
η	0.0003588	Pa×s	592.28	Joback Calculated Property
η	0.0002703	Pa×s	641.75	Joback Calculated Property
η	0.0002120	Pa×s	691.23	Joback Calculated Property
η	0.0001718	Pa×s	740.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Bromohexanoic 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

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.
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