Chemical Properties of 3-Bromobenzoic acid. 3-methylbut-2-enyl ester

InChI

InChI=1S/C12H13BrO2/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-6,8H,7H2,1-2H3

InChI Key

SCHFXORPCOMCOF-UHFFFAOYSA-N

Formula

C12H13BrO2

SMILES

CC(C)=CCOC(=O)c1cccc(Br)c1

Molecular Weight¹

269.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	5.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-176.99	kJ/mol	Joback Calculated Property
ΔfusH°	27.45	kJ/mol	Joback Calculated Property
ΔvapH°	60.87	kJ/mol	Joback Calculated Property
log10WS	-4.40		Crippen Calculated Property
logPoct/wat	3.572		Crippen Calculated Property
McVol	176.820	ml/mol	McGowan Calculated Property
Pc	2823.32	kPa	Joback Calculated Property
Inp	[1714.00; 1714.00]
Inp	1714.00		NIST
Inp	1714.00		NIST
Tboil	652.11	K	Joback Calculated Property
Tc	884.01	K	Joback Calculated Property
Tfus	376.86	K	Joback Calculated Property
Vc	0.666	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.62; 478.62]	J/mol×K	[652.11; 884.01]
Cp,gas	411.62	J/mol×K	652.11	Joback Calculated Property
Cp,gas	424.90	J/mol×K	690.76	Joback Calculated Property
Cp,gas	437.27	J/mol×K	729.41	Joback Calculated Property
Cp,gas	448.77	J/mol×K	768.06	Joback Calculated Property
Cp,gas	459.46	J/mol×K	806.71	Joback Calculated Property
Cp,gas	469.39	J/mol×K	845.36	Joback Calculated Property
Cp,gas	478.62	J/mol×K	884.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Bromobenzoic acid. 3-methylbut-2-enyl ester.

Sources

• 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.