Chemical Properties of Diethylmalonic acid, monochloride, 3-methylbenzyl ester

InChI

InChI=1S/C15H19ClO3/c1-4-15(5-2,13(16)17)14(18)19-10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3

InChI Key

OBGBKKJGWIPFIC-UHFFFAOYSA-N

Formula

C15H19ClO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)OCc1cccc(C)c1

Molecular Weight¹

282.76

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6238		Relay (1.0) Calculated Property
ΔfG°	-193.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-537.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.43	kJ/mol	Joback Calculated Property
ΔvapH°	78.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-4.10		Relay (1.0) Calculated Property
logPoct/wat	3.610		Crippen Calculated Property
McVol	219.700	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[1830.00; 1830.00]
Inp	1830.00		NIST
Inp	1830.00		NIST
Tboil	575.86	K	Relay (1.0) Calculated Property
Tc	802.99	K	Relay (1.0) Calculated Property
Tfus	304.37	K	Relay (1.0) Calculated Property
Vc	0.760	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[595.69; 667.44]	J/mol×K	[738.62; 956.98]
Cp,gas	595.69	J/mol×K	738.62	Joback Calculated Property
Cp,gas	610.07	J/mol×K	775.01	Joback Calculated Property
Cp,gas	623.41	J/mol×K	811.41	Joback Calculated Property
Cp,gas	635.77	J/mol×K	847.80	Joback Calculated Property
Cp,gas	647.19	J/mol×K	884.20	Joback Calculated Property
Cp,gas	657.73	J/mol×K	920.59	Joback Calculated Property
Cp,gas	667.44	J/mol×K	956.98	Joback Calculated Property
η	[0.0001020; 0.0010616]	Pa×s	[452.18; 738.62]
η	0.0010616	Pa×s	452.18	Joback Calculated Property
η	0.0005963	Pa×s	499.92	Joback Calculated Property
η	0.0003703	Pa×s	547.66	Joback Calculated Property
η	0.0002483	Pa×s	595.40	Joback Calculated Property
η	0.0001766	Pa×s	643.14	Joback Calculated Property
η	0.0001317	Pa×s	690.88	Joback Calculated Property
η	0.0001020	Pa×s	738.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 3-methylbenzyl ester.

Sources

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

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