Chemical Properties of 4-Bromobutanoic acid, 3-methylbut-2-enyl ester

InChI

InChI=1S/C9H15BrO2/c1-8(2)5-7-12-9(11)4-3-6-10/h5H,3-4,6-7H2,1-2H3

InChI Key

PKKFLEBSMPTFBK-UHFFFAOYSA-N

Formula

C9H15BrO2

SMILES

CC(C)=CCOC(=O)CCCBr

Molecular Weight¹

235.12

• 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°	-123.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.13	kJ/mol	Joback Calculated Property
ΔfusH°	26.03	kJ/mol	Joback Calculated Property
ΔvapH°	51.26	kJ/mol	Joback Calculated Property
log10WS	-2.74		Crippen Calculated Property
logPoct/wat	2.671		Crippen Calculated Property
McVol	158.310	ml/mol	McGowan Calculated Property
Pc	2741.15	kPa	Joback Calculated Property
Inp	[1387.00; 1387.00]
Inp	1387.00		NIST
Inp	1387.00		NIST
Tboil	551.81	K	Joback Calculated Property
Tc	750.75	K	Joback Calculated Property
Tfus	304.11	K	Joback Calculated Property
Vc	0.607	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.62; 412.42]	J/mol×K	[551.81; 750.75]
Cp,gas	346.62	J/mol×K	551.81	Joback Calculated Property
Cp,gas	359.10	J/mol×K	584.97	Joback Calculated Property
Cp,gas	370.95	J/mol×K	618.12	Joback Calculated Property
Cp,gas	382.17	J/mol×K	651.28	Joback Calculated Property
Cp,gas	392.81	J/mol×K	684.44	Joback Calculated Property
Cp,gas	402.88	J/mol×K	717.59	Joback Calculated Property
Cp,gas	412.42	J/mol×K	750.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutanoic acid, 3-methylbut-2-enyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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