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).
• IE : Ionization energy (eV).
• 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°	-222.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-552.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.87	kJ/mol	Joback Calculated Property
ΔvapH°	82.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-3.82		Relay (1.0) Calculated Property
logPoct/wat	3.768		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	[1496.00; 1496.00]
Inp	1496.00		NIST
Inp	1496.00		NIST
Tboil	547.14	K	Relay (1.0) Calculated Property
Tc	741.25	K	Relay (1.0) Calculated Property
Tfus	293.21	K	Relay (1.0) Calculated Property
Vc	0.678	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Acentric Factor for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[484.46; 560.96]	J/mol×K	[623.71; 810.91]
Cp,gas	484.46	J/mol×K	623.71	Joback Calculated Property
Cp,gas	498.92	J/mol×K	654.91	Joback Calculated Property
Cp,gas	512.65	J/mol×K	686.11	Joback Calculated Property
Cp,gas	525.67	J/mol×K	717.31	Joback Calculated Property
Cp,gas	538.04	J/mol×K	748.51	Joback Calculated Property
Cp,gas	549.79	J/mol×K	779.71	Joback Calculated Property
Cp,gas	560.96	J/mol×K	810.91	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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