Chemical Properties of Diethylmalonic acid, monochloride, 2-(3,3-dimethyl-2,4-oxacyclopentyl)ethyl ester

InChI

InChI=1S/C14H23ClO5/c1-5-14(6-2,11(15)16)12(17)18-8-7-10-9-19-13(3,4)20-10/h10H,5-9H2,1-4H3

InChI Key

KFWXYFZZFVDINY-UHFFFAOYSA-N

Formula

C14H23ClO5

SMILES

CCC(CC)(C(=O)Cl)C(=O)OCCC1COC(C)(C)O1

Molecular Weight¹

306.78

• 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°	-453.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-922.78	kJ/mol	Joback Calculated Property
ΔfusH°	37.85	kJ/mol	Joback Calculated Property
ΔvapH°	73.57	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	2.643		Crippen Calculated Property
McVol	230.250	ml/mol	McGowan Calculated Property
Pc	1895.30	kPa	Joback Calculated Property
Inp	[1777.00; 1777.00]
Inp	1777.00		NIST
Inp	1777.00		NIST
Tboil	748.83	K	Joback Calculated Property
Tc	961.30	K	Joback Calculated Property
Tfus	485.67	K	Joback Calculated Property
Vc	0.868	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.13; 769.19]	J/mol×K	[748.83; 961.30]
Cp,gas	680.13	J/mol×K	748.83	Joback Calculated Property
Cp,gas	696.37	J/mol×K	784.24	Joback Calculated Property
Cp,gas	711.89	J/mol×K	819.65	Joback Calculated Property
Cp,gas	726.81	J/mol×K	855.07	Joback Calculated Property
Cp,gas	741.25	J/mol×K	890.48	Joback Calculated Property
Cp,gas	755.34	J/mol×K	925.89	Joback Calculated Property
Cp,gas	769.19	J/mol×K	961.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-(3,3-dimethyl-2,4-oxacyclopentyl)ethyl ester.

Sources

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

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