Chemical Properties of 5-Bromovaleric acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C18H19BrO3/c19-13-5-4-8-18(20)22-17-11-9-16(10-12-17)21-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2

InChI Key

GNHFCKXWBUOWRM-UHFFFAOYSA-N

Formula

C18H19BrO3

SMILES

O=C(CCCCBr)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

363.25

• 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).
• 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°	40.91	kJ/mol	Joback Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
logPoct/wat	4.736		Crippen Calculated Property
McVol	247.770	ml/mol	McGowan Calculated Property
Inp	[2679.00; 2679.00]
Inp	2679.00		NIST
Inp	2679.00		NIST
Tboil	675.26	K	Relay (1.0) Calculated Property
Tfus	333.69	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	[686.86; 754.04]	J/mol×K	[816.58; 1047.54]
Cp,gas	686.86	J/mol×K	816.58	Joback Calculated Property
Cp,gas	701.06	J/mol×K	855.07	Joback Calculated Property
Cp,gas	713.99	J/mol×K	893.57	Joback Calculated Property
Cp,gas	725.70	J/mol×K	932.06	Joback Calculated Property
Cp,gas	736.24	J/mol×K	970.56	Joback Calculated Property
Cp,gas	745.67	J/mol×K	1009.05	Joback Calculated Property
Cp,gas	754.04	J/mol×K	1047.54	Joback Calculated Property
η	[0.0000542; 0.0005916]	Pa×s	[482.34; 816.58]
η	0.0005916	Pa×s	482.34	Joback Calculated Property
η	0.0003232	Pa×s	538.05	Joback Calculated Property
η	0.0001977	Pa×s	593.75	Joback Calculated Property
η	0.0001316	Pa×s	649.46	Joback Calculated Property
η	0.0000934	Pa×s	705.17	Joback Calculated Property
η	0.0000697	Pa×s	760.87	Joback Calculated Property
η	0.0000542	Pa×s	816.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric acid, 4-benzyloxyphenyl 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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