Chemical Properties of 2-Octenoic acid, 2-butyl

InChI

InChI=1S/C12H22O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h10H,3-9H2,1-2H3,(H,13,14)/b11-10+

InChI Key

DXAWUPPWNGZBOY-ZHACJKMWSA-N

Formula

C12H22O2

SMILES

CCCCCC=C(CCCC)C(=O)O

Molecular Weight¹

198.30

• 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°	-143.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-448.39	kJ/mol	Joback Calculated Property
ΔfusH°	31.42	kJ/mol	Joback Calculated Property
ΔvapH°	65.77	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	3.768		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	2147.32	kPa	Joback Calculated Property
Inp	[1496.00; 1496.00]
Inp	1496.00		NIST
Inp	1496.00		NIST
Tboil	624.05	K	Joback Calculated Property
Tc	797.54	K	Joback Calculated Property
Tfus	316.71	K	Joback Calculated Property
Vc	0.714	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.81; 553.48]	J/mol×K	[624.05; 797.54]
Cp,gas	481.81	J/mol×K	624.05	Joback Calculated Property
Cp,gas	495.22	J/mol×K	652.96	Joback Calculated Property
Cp,gas	508.01	J/mol×K	681.88	Joback Calculated Property
Cp,gas	520.20	J/mol×K	710.79	Joback Calculated Property
Cp,gas	531.83	J/mol×K	739.71	Joback Calculated Property
Cp,gas	542.91	J/mol×K	768.62	Joback Calculated Property
Cp,gas	553.48	J/mol×K	797.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Octenoic acid, 2-butyl.

Sources

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

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