Chemical Properties of (2E)-2,6-dimethyl-2,5-heptadienoic acid

InChI

InChI=1S/C9H14O2/c1-7(2)5-4-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H,10,11)/b8-6+

InChI Key

IGQGIACCENRGLM-SOFGYWHQSA-N

Formula

C9H14O2

SMILES

CC(C)=CCC=C(C)C(=O)O

Molecular Weight¹

154.21

• ω : Acentric Factor.
• 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 : 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
ω	0.5946		Relay (1.0) Calculated Property
ΔfG°	-97.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-387.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.54	kJ/mol	Joback Calculated Property
ΔvapH°	75.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-2.13		Relay (1.0) Calculated Property
logPoct/wat	2.374		Crippen Calculated Property
McVol	136.510	ml/mol	McGowan Calculated Property
Pc	3042.32	kPa	Joback Calculated Property
I	[2311.00; 2311.00]
I	2311.00		NIST
I	2311.00		NIST
Tboil	514.50	K	Relay (1.0) Calculated Property
Tc	691.34	K	Relay (1.0) Calculated Property
Tfus	342.31	K	Relay (1.0) Calculated Property
Vc	0.472	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.53; 374.09]	J/mol×K	[559.45; 746.72]
Cp,gas	316.53	J/mol×K	559.45	Joback Calculated Property
Cp,gas	327.49	J/mol×K	590.66	Joback Calculated Property
Cp,gas	337.85	J/mol×K	621.87	Joback Calculated Property
Cp,gas	347.66	J/mol×K	653.09	Joback Calculated Property
Cp,gas	356.94	J/mol×K	684.30	Joback Calculated Property
Cp,gas	365.74	J/mol×K	715.51	Joback Calculated Property
Cp,gas	374.09	J/mol×K	746.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E)-2,6-dimethyl-2,5-heptadienoic acid.

Sources

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

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