Chemical Properties of Dimethylmalonic acid, di(2-methylphenyl) ester

InChI

InChI=1S/C19H20O4/c1-13-9-5-7-11-15(13)22-17(20)19(3,4)18(21)23-16-12-8-6-10-14(16)2/h5-12H,1-4H3

InChI Key

WIKFZBYOZGEOMF-UHFFFAOYSA-N

Formula

C19H20O4

SMILES

Cc1ccccc1OC(=O)C(C)(C)C(=O)Oc1ccccc1C

Molecular Weight¹

312.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.59	kJ/mol	Joback Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-4.12		Relay (1.0) Calculated Property
logPoct/wat	3.841		Crippen Calculated Property
McVol	245.930	ml/mol	McGowan Calculated Property
Inp	[2183.00; 2183.00]
Inp	2183.00		NIST
Inp	2183.00		NIST
Tboil	613.12	K	Relay (1.0) Calculated Property
Tc	889.11	K	Relay (1.0) Calculated Property
Tfus	351.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[715.48; 783.40]	J/mol×K	[810.85; 1044.04]
Cp,gas	715.48	J/mol×K	810.85	Joback Calculated Property
Cp,gas	730.20	J/mol×K	849.72	Joback Calculated Property
Cp,gas	743.48	J/mol×K	888.58	Joback Calculated Property
Cp,gas	755.38	J/mol×K	927.45	Joback Calculated Property
Cp,gas	765.96	J/mol×K	966.31	Joback Calculated Property
Cp,gas	775.28	J/mol×K	1005.18	Joback Calculated Property
Cp,gas	783.40	J/mol×K	1044.04	Joback Calculated Property
η	[0.0000401; 0.0006429]	Pa×s	[468.85; 810.85]
η	0.0006429	Pa×s	468.85	Joback Calculated Property
η	0.0003152	Pa×s	525.85	Joback Calculated Property
η	0.0001776	Pa×s	582.85	Joback Calculated Property
η	0.0001109	Pa×s	639.85	Joback Calculated Property
η	0.0000747	Pa×s	696.85	Joback Calculated Property
η	0.0000535	Pa×s	753.85	Joback Calculated Property
η	0.0000401	Pa×s	810.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2-methylphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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