Chemical Properties of 5-Bromovaleric acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C8H12BrClO2/c9-5-2-1-4-8(11)12-7-3-6-10/h3,6H,1-2,4-5,7H2/b6-3+

InChI Key

WKBNROJJOCKZAN-ZZXKWVIFSA-N

Formula

C8H12BrClO2

SMILES

O=C(CCCCBr)OCC=CCl

Molecular Weight¹

255.54

• 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°	30.53	kJ/mol	Joback Calculated Property
logPoct/wat	2.847		Crippen Calculated Property
McVol	156.460	ml/mol	McGowan Calculated Property
Inp	[1567.60; 1567.60]
Inp	1567.60		NIST
Inp	1567.60		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	[323.73; 380.73]	J/mol×K	[548.61; 748.92]
Cp,gas	323.73	J/mol×K	548.61	Joback Calculated Property
Cp,gas	334.75	J/mol×K	582.00	Joback Calculated Property
Cp,gas	345.12	J/mol×K	615.38	Joback Calculated Property
Cp,gas	354.88	J/mol×K	648.77	Joback Calculated Property
Cp,gas	364.05	J/mol×K	682.15	Joback Calculated Property
Cp,gas	372.65	J/mol×K	715.54	Joback Calculated Property
Cp,gas	380.73	J/mol×K	748.92	Joback Calculated Property
η	[0.0001998; 0.0029950]	Pa×s	[306.89; 548.61]
η	0.0029950	Pa×s	306.89	Joback Calculated Property
η	0.0014680	Pa×s	347.18	Joback Calculated Property
η	0.0008345	Pa×s	387.46	Joback Calculated Property
η	0.0005277	Pa×s	427.75	Joback Calculated Property
η	0.0003610	Pa×s	468.04	Joback Calculated Property
η	0.0002624	Pa×s	508.32	Joback Calculated Property
η	0.0001998	Pa×s	548.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric acid, 3-chloroprop-2-enyl 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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