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

InChI

InChI=1S/C15H17ClO6/c1-15(2)20-8-11(22-15)12(14(18)19-3)21-13(17)9-5-4-6-10(16)7-9/h4-7,11-12H,8H2,1-3H3

InChI Key

ZKKWYJBTVAEXOY-UHFFFAOYSA-N

Formula

C15H17ClO6

SMILES

COC(=O)C(OC(=O)c1cccc(Cl)c1)C1COC(C)(C)O1

Molecular Weight¹

328.75

• 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	0.6579		Relay (... Calculated Property
ΔfG°	-452.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-999.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.17	kJ/mol	Joback Calculated Property
ΔvapH°	100.18	kJ/mol	Relay (... Calculated Property
IE	9.20	eV	Relay (... Calculated Property
log10WS	-3.02		Relay (... Calculated Property
logPoct/wat	2.190		Crippen Calculated Property
McVol	226.450	ml/mol	McGowan Calculated Property
Pc	2256.81	kPa	Joback Calculated Property
Inp	[2084.00; 2084.00]
Inp	2084.00		NIST
Inp	2084.00		NIST
Tboil	610.08	K	Relay (... Calculated Property
Tc	831.61	K	Relay (... Calculated Property
Tfus	315.11	K	Relay (... Calculated Property
Vc	0.846	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.75; 753.49]	J/mol×K	[828.58; 1064.64]
Cp,gas	669.75	J/mol×K	828.58	Joback Calculated Property
Cp,gas	684.92	J/mol×K	867.92	Joback Calculated Property
Cp,gas	699.44	J/mol×K	907.27	Joback Calculated Property
Cp,gas	713.43	J/mol×K	946.61	Joback Calculated Property
Cp,gas	727.02	J/mol×K	985.95	Joback Calculated Property
Cp,gas	740.33	J/mol×K	1025.30	Joback Calculated Property
Cp,gas	753.49	J/mol×K	1064.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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