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

InChI

InChI=1S/C21H24O4/c1-21(2,19(22)24-15-13-17-9-5-3-6-10-17)20(23)25-16-14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3

InChI Key

SKBRKUZQKUIQNK-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

CC(C)(C(=O)OCCc1ccccc1)C(=O)OCCc1ccccc1

Molecular Weight¹

340.41

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.39	kJ/mol	Joback Calculated Property
ΔvapH°	110.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.584		Crippen Calculated Property
McVol	274.110	ml/mol	McGowan Calculated Property
Pc	1651.11	kPa	Joback Calculated Property
Inp	[2445.00; 2445.00]
Inp	2445.00		NIST
Inp	2445.00		NIST
Tboil	648.98	K	Relay (1.0) Calculated Property
Tfus	312.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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	[841.26; 911.12]	J/mol×K	[882.59; 1111.91]
Cp,gas	841.26	J/mol×K	882.59	Joback Calculated Property
Cp,gas	855.91	J/mol×K	920.81	Joback Calculated Property
Cp,gas	869.25	J/mol×K	959.03	Joback Calculated Property
Cp,gas	881.37	J/mol×K	997.25	Joback Calculated Property
Cp,gas	892.33	J/mol×K	1035.47	Joback Calculated Property
Cp,gas	902.22	J/mol×K	1073.69	Joback Calculated Property
Cp,gas	911.12	J/mol×K	1111.91	Joback Calculated Property
η	[0.0000375; 0.0004843]	Pa×s	[526.01; 882.59]
η	0.0004843	Pa×s	526.01	Joback Calculated Property
η	0.0002546	Pa×s	585.44	Joback Calculated Property
η	0.0001507	Pa×s	644.87	Joback Calculated Property
η	0.0000974	Pa×s	704.30	Joback Calculated Property
η	0.0000674	Pa×s	763.73	Joback Calculated Property
η	0.0000492	Pa×s	823.16	Joback Calculated Property
η	0.0000375	Pa×s	882.59	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.