Chemical Properties of 2,4-Dimethylpentan-3-yl (E)-2-methylbut-2-enoate

InChI

InChI=1S/C12H22O2/c1-7-10(6)12(13)14-11(8(2)3)9(4)5/h7-9,11H,1-6H3/b10-7+

InChI Key

FTLKZZLRHWGGDE-JXMROGBWSA-N

Formula

C12H22O2

SMILES

CC=C(C)C(=O)OC(C(C)C)C(C)C

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°	-119.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-444.22	kJ/mol	Joback Calculated Property
ΔfusH°	17.95	kJ/mol	Joback Calculated Property
ΔvapH°	50.34	kJ/mol	Joback Calculated Property
log10WS	-3.19		Crippen Calculated Property
logPoct/wat	3.176		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1987.66	kPa	Joback Calculated Property
Inp	[1259.00; 1259.00]
Inp	1259.00		NIST
Inp	1259.00		NIST
Tboil	552.97	K	Joback Calculated Property
Tc	742.96	K	Joback Calculated Property
Tfus	233.12	K	Joback Calculated Property
Vc	0.695	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.42; 534.90]	J/mol×K	[552.97; 742.96]
Cp,gas	446.42	J/mol×K	552.97	Joback Calculated Property
Cp,gas	463.06	J/mol×K	584.63	Joback Calculated Property
Cp,gas	478.91	J/mol×K	616.30	Joback Calculated Property
Cp,gas	494.00	J/mol×K	647.96	Joback Calculated Property
Cp,gas	508.35	J/mol×K	679.63	Joback Calculated Property
Cp,gas	521.97	J/mol×K	711.29	Joback Calculated Property
Cp,gas	534.90	J/mol×K	742.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dimethylpentan-3-yl (E)-2-methylbut-2-enoate.

Sources

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

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