Chemical Properties of Diethylmalonic acid, 4-acetylphenyl pentadecyl ester

InChI

InChI=1S/C30H48O5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-24-34-28(32)30(6-2,7-3)29(33)35-27-22-20-26(21-23-27)25(4)31/h20-23H,5-19,24H2,1-4H3

InChI Key

OLFPWWNGPWNROU-UHFFFAOYSA-N

Formula

C30H48O5

SMILES

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

Molecular Weight¹

488.70

• 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°	70.03	kJ/mol	Joback Calculated Property
ΔvapH°	141.48	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.45		Relay (1.0) Calculated Property
logPoct/wat	8.235		Crippen Calculated Property
McVol	426.250	ml/mol	McGowan Calculated Property
Pc	734.42	kPa	Joback Calculated Property
Inp	[3413.00; 3413.00]
Inp	3413.00		NIST
Inp	3413.00		NIST
Tboil	704.78	K	Relay (1.0) Calculated Property
Tfus	333.96	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	[1491.45; 1563.76]	J/mol×K	[1084.74; 1338.15]
Cp,gas	1491.45	J/mol×K	1084.74	Joback Calculated Property
Cp,gas	1507.87	J/mol×K	1126.97	Joback Calculated Property
Cp,gas	1522.35	J/mol×K	1169.21	Joback Calculated Property
Cp,gas	1535.05	J/mol×K	1211.44	Joback Calculated Property
Cp,gas	1546.10	J/mol×K	1253.68	Joback Calculated Property
Cp,gas	1555.62	J/mol×K	1295.91	Joback Calculated Property
Cp,gas	1563.76	J/mol×K	1338.15	Joback Calculated Property
η	[0.0000062; 0.0001554]	Pa×s	[603.81; 1084.74]
η	0.0001554	Pa×s	603.81	Joback Calculated Property
η	0.0000664	Pa×s	683.96	Joback Calculated Property
η	0.0000339	Pa×s	764.12	Joback Calculated Property
η	0.0000197	Pa×s	844.27	Joback Calculated Property
η	0.0000125	Pa×s	924.43	Joback Calculated Property
η	0.0000086	Pa×s	1004.58	Joback Calculated Property
η	0.0000062	Pa×s	1084.74	Joback Calculated Property

Similar Compounds

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