Chemical Properties of 4-Bromobutanoic acid, pent-2-en-4-ynyl ester

InChI

InChI=1S/C9H11BrO2/c1-2-3-4-8-12-9(11)6-5-7-10/h1,3-4H,5-8H2

InChI Key

DBHFYGRAUDTJAT-UHFFFAOYSA-N

Formula

C9H11BrO2

SMILES

C#CC=CCOC(=O)CCCBr

Molecular Weight¹

231.09

• 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°	108.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-38.44	kJ/mol	Joback Calculated Property
ΔfusH°	30.32	kJ/mol	Joback Calculated Property
ΔvapH°	51.04	kJ/mol	Joback Calculated Property
log10WS	-2.53		Crippen Calculated Property
logPoct/wat	1.894		Crippen Calculated Property
McVol	149.710	ml/mol	McGowan Calculated Property
Pc	3202.78	kPa	Joback Calculated Property
Inp	[1413.00; 1413.00]
Inp	1413.00		NIST
Inp	1413.00		NIST
Tboil	542.05	K	Joback Calculated Property
Tc	751.01	K	Joback Calculated Property
Tfus	365.04	K	Joback Calculated Property
Vc	0.568	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[309.94; 366.11]	J/mol×K	[542.05; 751.01]
Cp,gas	309.94	J/mol×K	542.05	Joback Calculated Property
Cp,gas	320.76	J/mol×K	576.88	Joback Calculated Property
Cp,gas	330.95	J/mol×K	611.70	Joback Calculated Property
Cp,gas	340.55	J/mol×K	646.53	Joback Calculated Property
Cp,gas	349.58	J/mol×K	681.36	Joback Calculated Property
Cp,gas	358.09	J/mol×K	716.19	Joback Calculated Property
Cp,gas	366.11	J/mol×K	751.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutanoic acid, pent-2-en-4-ynyl ester.

Sources

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

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