Chemical Properties of 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl (E)-2-methylbut-2-enoate

InChI

InChI=1S/C13H20O6/c1-6-8(2)11(14)18-10(12(15)16-5)9-7-17-13(3,4)19-9/h6,9-10H,7H2,1-5H3/b8-6+

InChI Key

AVJFEIXNLVTSEZ-SOFGYWHQSA-N

Formula

C13H20O6

SMILES

CC=C(C)C(=O)OC(C(=O)OC)C1COC(C)(C)O1

Molecular Weight¹

272.29

• 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_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
ω	0.5793		Relay (... Calculated Property
ΔfG°	-488.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1081.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.03	kJ/mol	Joback Calculated Property
ΔvapH°	81.87	kJ/mol	Relay (... Calculated Property
IE	9.28	eV	Relay (... Calculated Property
log10WS	-1.59		Relay (... Calculated Property
logPoct/wat	1.189		Crippen Calculated Property
McVol	205.490	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1659.00; 1659.00]
Inp	1659.00		NIST
Inp	1659.00		NIST
Tboil	537.02	K	Relay (... Calculated Property
Tc	734.57	K	Relay (... Calculated Property
Tfus	309.15	K	Relay (... Calculated Property
Vc	0.769	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.09; 686.08]	J/mol×K	[717.77; 931.67]
Cp,gas	599.09	J/mol×K	717.77	Joback Calculated Property
Cp,gas	615.07	J/mol×K	753.42	Joback Calculated Property
Cp,gas	630.33	J/mol×K	789.07	Joback Calculated Property
Cp,gas	644.97	J/mol×K	824.72	Joback Calculated Property
Cp,gas	659.07	J/mol×K	860.37	Joback Calculated Property
Cp,gas	672.75	J/mol×K	896.02	Joback Calculated Property
Cp,gas	686.08	J/mol×K	931.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl (E)-2-methylbut-2-enoate.

Sources

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

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