Chemical Properties of Diethylmalonic acid, hexyl 3-methoxyphenyl ester

InChI

InChI=1S/C20H30O5/c1-5-8-9-10-14-24-18(21)20(6-2,7-3)19(22)25-17-13-11-12-16(15-17)23-4/h11-13,15H,5-10,14H2,1-4H3

InChI Key

IYCOFGBWBMLCBT-UHFFFAOYSA-N

Formula

C20H30O5

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(OC)c1

Molecular Weight¹

350.45

• 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°	43.72	kJ/mol	Joback Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.530		Crippen Calculated Property
McVol	289.650	ml/mol	McGowan Calculated Property
Pc	1266.45	kPa	Joback Calculated Property
Inp	[2319.00; 2319.00]
Inp	2319.00		NIST
Inp	2319.00		NIST
Tboil	635.59	K	Relay (1.0) Calculated Property
Tfus	309.10	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	[895.07; 973.29]	J/mol×K	[824.49; 1025.35]
Cp,gas	895.07	J/mol×K	824.49	Joback Calculated Property
Cp,gas	911.17	J/mol×K	857.97	Joback Calculated Property
Cp,gas	926.01	J/mol×K	891.44	Joback Calculated Property
Cp,gas	939.61	J/mol×K	924.92	Joback Calculated Property
Cp,gas	952.00	J/mol×K	958.40	Joback Calculated Property
Cp,gas	963.22	J/mol×K	991.87	Joback Calculated Property
Cp,gas	973.29	J/mol×K	1025.35	Joback Calculated Property
η	[0.0000254; 0.0005831]	Pa×s	[463.41; 824.49]
η	0.0005831	Pa×s	463.41	Joback Calculated Property
η	0.0002561	Pa×s	523.59	Joback Calculated Property
η	0.0001333	Pa×s	583.77	Joback Calculated Property
η	0.0000783	Pa×s	643.95	Joback Calculated Property
η	0.0000504	Pa×s	704.13	Joback Calculated Property
η	0.0000348	Pa×s	764.31	Joback Calculated Property
η	0.0000254	Pa×s	824.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexyl 3-methoxyphenyl 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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