Chemical Properties of Diethylmalonic acid, 4-acetylphenyl hexadecyl ester

InChI

InChI=1S/C31H50O5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-25-35-29(33)31(6-2,7-3)30(34)36-28-23-21-27(22-24-28)26(4)32/h21-24H,5-20,25H2,1-4H3

InChI Key

MOGLNYBTKDWRNS-UHFFFAOYSA-N

Formula

C31H50O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

502.74

• 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).
• 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°	72.62	kJ/mol	Joback Calculated Property
ΔvapH°	145.36	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.72		Relay (1.0) Calculated Property
logPoct/wat	8.626		Crippen Calculated Property
McVol	440.340	ml/mol	McGowan Calculated Property
Pc	697.65	kPa	Joback Calculated Property
Inp	[3537.00; 3537.00]
Inp	3537.00		NIST
Inp	3537.00		NIST
Tboil	711.40	K	Relay (1.0) Calculated Property
Tfus	335.13	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, 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	[1554.34; 1627.13]	J/mol×K	[1107.62; 1372.01]
Cp,gas	1554.34	J/mol×K	1107.62	Joback Calculated Property
Cp,gas	1571.09	J/mol×K	1151.68	Joback Calculated Property
Cp,gas	1585.78	J/mol×K	1195.75	Joback Calculated Property
Cp,gas	1598.58	J/mol×K	1239.81	Joback Calculated Property
Cp,gas	1609.63	J/mol×K	1283.88	Joback Calculated Property
Cp,gas	1619.09	J/mol×K	1327.94	Joback Calculated Property
Cp,gas	1627.13	J/mol×K	1372.01	Joback Calculated Property
η	[0.0000053; 0.0001337]	Pa×s	[615.08; 1107.62]
η	0.0001337	Pa×s	615.08	Joback Calculated Property
η	0.0000567	Pa×s	697.17	Joback Calculated Property
η	0.0000288	Pa×s	779.26	Joback Calculated Property
η	0.0000167	Pa×s	861.35	Joback Calculated Property
η	0.0000106	Pa×s	943.44	Joback Calculated Property
η	0.0000073	Pa×s	1025.53	Joback Calculated Property
η	0.0000053	Pa×s	1107.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl hexadecyl 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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