Chemical Properties of Diethylmalonic acid, hexyl 3-methylphenyl ester

InChI

InChI=1S/C20H30O4/c1-5-8-9-10-14-23-18(21)20(6-2,7-3)19(22)24-17-13-11-12-16(4)15-17/h11-13,15H,5-10,14H2,1-4H3

InChI Key

ZNIPQHJBBDWNHY-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

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

Molecular Weight¹

334.46

• 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°	42.53	kJ/mol	Joback Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-5.10		Relay (1.0) Calculated Property
logPoct/wat	4.830		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1281.91	kPa	Joback Calculated Property
Inp	[2141.00; 2141.00]
Inp	2141.00		NIST
Inp	2141.00		NIST
Tboil	622.20	K	Relay (1.0) Calculated Property
Tfus	296.75	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	[865.62; 948.07]	J/mol×K	[802.07; 1002.54]
Cp,gas	865.62	J/mol×K	802.07	Joback Calculated Property
Cp,gas	882.28	J/mol×K	835.48	Joback Calculated Property
Cp,gas	897.71	J/mol×K	868.89	Joback Calculated Property
Cp,gas	911.97	J/mol×K	902.31	Joback Calculated Property
Cp,gas	925.08	J/mol×K	935.72	Joback Calculated Property
Cp,gas	937.10	J/mol×K	969.13	Joback Calculated Property
Cp,gas	948.07	J/mol×K	1002.54	Joback Calculated Property
η	[0.0000342; 0.0008904]	Pa×s	[441.18; 802.07]
η	0.0008904	Pa×s	441.18	Joback Calculated Property
η	0.0003734	Pa×s	501.33	Joback Calculated Property
η	0.0001886	Pa×s	561.48	Joback Calculated Property
η	0.0001087	Pa×s	621.62	Joback Calculated Property
η	0.0000691	Pa×s	681.77	Joback Calculated Property
η	0.0000472	Pa×s	741.92	Joback Calculated Property
η	0.0000342	Pa×s	802.07	Joback Calculated Property

Similar Compounds

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