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

InChI

InChI=1S/C15H23BrO2/c16-4-2-1-3-14(17)18-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,1-9H2

InChI Key

FVVKQQWMMIYVEM-UHFFFAOYSA-N

Formula

C15H23BrO2

SMILES

O=C(CCCCBr)OC1C2CC3CC(C2)CC1C3

Molecular Weight¹

315.25

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.71	kJ/mol	Joback Calculated Property
logPoct/wat	3.919		Crippen Calculated Property
McVol	214.570	ml/mol	McGowan Calculated Property
Inp	[2108.00; 2108.00]
Inp	2108.00		NIST
Inp	2108.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[629.31; 728.12]	J/mol×K	[682.33; 895.66]
Cp,gas	629.31	J/mol×K	682.33	Joback Calculated Property
Cp,gas	648.66	J/mol×K	717.89	Joback Calculated Property
Cp,gas	666.72	J/mol×K	753.44	Joback Calculated Property
Cp,gas	683.61	J/mol×K	789.00	Joback Calculated Property
Cp,gas	699.40	J/mol×K	824.55	Joback Calculated Property
Cp,gas	714.21	J/mol×K	860.11	Joback Calculated Property
Cp,gas	728.12	J/mol×K	895.66	Joback Calculated Property
η	[0.0021304; 0.0037959]	Pa×s	[402.76; 682.33]
η	0.0037959	Pa×s	402.76	Joback Calculated Property
η	0.0032796	Pa×s	449.35	Joback Calculated Property
η	0.0029125	Pa×s	495.95	Joback Calculated Property
η	0.0026398	Pa×s	542.54	Joback Calculated Property
η	0.0024301	Pa×s	589.14	Joback Calculated Property
η	0.0022643	Pa×s	635.73	Joback Calculated Property
η	0.0021304	Pa×s	682.33	Joback Calculated Property

Similar Compounds

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