Chemical Properties of Dimethylmalonic acid, 2-ethylphenyl heptyl ester

InChI

InChI=1S/C20H30O4/c1-5-7-8-9-12-15-23-18(21)20(3,4)19(22)24-17-14-11-10-13-16(17)6-2/h10-11,13-14H,5-9,12,15H2,1-4H3

InChI Key

YLCQUNLWCNLYMT-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1CC

Molecular Weight¹

334.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-830.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.37	kJ/mol	Joback Calculated Property
ΔvapH°	92.88	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	4.694		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1360.63	kPa	Joback Calculated Property
Inp	[2213.00; 2213.00]
Inp	2213.00		NIST
Inp	2213.00		NIST
Tboil	602.55	K	Relay (1.0) Calculated Property
Tfus	273.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[878.75; 960.08]	J/mol×K	[838.01; 1043.17]
Cp,gas	878.75	J/mol×K	838.01	Joback Calculated Property
Cp,gas	895.04	J/mol×K	872.20	Joback Calculated Property
Cp,gas	910.18	J/mol×K	906.40	Joback Calculated Property
Cp,gas	924.22	J/mol×K	940.59	Joback Calculated Property
Cp,gas	937.18	J/mol×K	974.79	Joback Calculated Property
Cp,gas	949.13	J/mol×K	1008.98	Joback Calculated Property
Cp,gas	960.08	J/mol×K	1043.17	Joback Calculated Property
η	[0.0000434; 0.0005463]	Pa×s	[500.84; 838.01]
η	0.0005463	Pa×s	500.84	Joback Calculated Property
η	0.0002895	Pa×s	557.03	Joback Calculated Property
η	0.0001723	Pa×s	613.23	Joback Calculated Property
η	0.0001119	Pa×s	669.42	Joback Calculated Property
η	0.0000777	Pa×s	725.62	Joback Calculated Property
η	0.0000569	Pa×s	781.81	Joback Calculated Property
η	0.0000434	Pa×s	838.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-ethylphenyl heptyl 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.