Chemical Properties of Diethylmalonic acid, 2-ethylphenyl heptadecyl ester

InChI

InChI=1S/C32H54O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-35-30(33)32(7-3,8-4)31(34)36-29-26-23-22-25-28(29)6-2/h22-23,25-26H,5-21,24,27H2,1-4H3

InChI Key

QARYUTKMTGAVGM-UHFFFAOYSA-N

Formula

C32H54O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

502.78

• 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).
• 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°	73.61	kJ/mol	Joback Calculated Property
log10WS	-8.34		Relay (1.0) Calculated Property
logPoct/wat	9.375		Crippen Calculated Property
McVol	452.860	ml/mol	McGowan Calculated Property
Pc	642.55	kPa	Joback Calculated Property
Inp	[3336.00; 3336.00]
Inp	3336.00		NIST
Inp	3336.00		NIST
Tboil	694.25	K	Relay (1.0) Calculated Property
Tfus	304.27	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, 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	[1606.79; 1695.61]	J/mol×K	[1076.63; 1333.55]
Cp,gas	1606.79	J/mol×K	1076.63	Joback Calculated Property
Cp,gas	1626.24	J/mol×K	1119.45	Joback Calculated Property
Cp,gas	1643.62	J/mol×K	1162.27	Joback Calculated Property
Cp,gas	1659.10	J/mol×K	1205.09	Joback Calculated Property
Cp,gas	1672.82	J/mol×K	1247.91	Joback Calculated Property
Cp,gas	1684.94	J/mol×K	1290.73	Joback Calculated Property
Cp,gas	1695.61	J/mol×K	1333.55	Joback Calculated Property
η	[0.0000049; 0.0001595]	Pa×s	[576.42; 1076.63]
η	0.0001595	Pa×s	576.42	Joback Calculated Property
η	0.0000618	Pa×s	659.79	Joback Calculated Property
η	0.0000296	Pa×s	743.16	Joback Calculated Property
η	0.0000165	Pa×s	826.52	Joback Calculated Property
η	0.0000102	Pa×s	909.89	Joback Calculated Property
η	0.0000068	Pa×s	993.26	Joback Calculated Property
η	0.0000049	Pa×s	1076.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-ethylphenyl heptadecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.