Chemical Properties of Diethylmalonic acid, 1-naphthyl pentyl ester

InChI

InChI=1S/C22H28O4/c1-4-7-10-16-25-20(23)22(5-2,6-3)21(24)26-19-15-11-13-17-12-8-9-14-18(17)19/h8-9,11-15H,4-7,10,16H2,1-3H3

InChI Key

HEHCRBYIGPISEZ-UHFFFAOYSA-N

Formula

C22H28O4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc2ccccc12

Molecular Weight¹

356.46

• 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).
• 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°	44.73	kJ/mol	Joback Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-5.27		Relay (1.0) Calculated Property
logPoct/wat	5.285		Crippen Calculated Property
McVol	292.500	ml/mol	McGowan Calculated Property
Pc	1331.98	kPa	Joback Calculated Property
Inp	[2530.00; 2530.00]
Inp	2530.00		NIST
Inp	2530.00		NIST
Tboil	666.34	K	Relay (1.0) Calculated Property
Tfus	323.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[908.84; 983.73]	J/mol×K	[866.81; 1081.45]
Cp,gas	908.84	J/mol×K	866.81	Joback Calculated Property
Cp,gas	924.07	J/mol×K	902.58	Joback Calculated Property
Cp,gas	938.09	J/mol×K	938.36	Joback Calculated Property
Cp,gas	950.99	J/mol×K	974.13	Joback Calculated Property
Cp,gas	962.85	J/mol×K	1009.90	Joback Calculated Property
Cp,gas	973.73	J/mol×K	1045.67	Joback Calculated Property
Cp,gas	983.73	J/mol×K	1081.45	Joback Calculated Property
η	[0.0000492; 0.0007016]	Pa×s	[496.42; 866.81]
η	0.0007016	Pa×s	496.42	Joback Calculated Property
η	0.0003527	Pa×s	558.15	Joback Calculated Property
η	0.0002034	Pa×s	619.88	Joback Calculated Property
η	0.0001295	Pa×s	681.62	Joback Calculated Property
η	0.0000889	Pa×s	743.35	Joback Calculated Property
η	0.0000647	Pa×s	805.08	Joback Calculated Property
η	0.0000492	Pa×s	866.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 1-naphthyl pentyl 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.
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