Chemical Properties of Dimethylmalonic acid, dodecyl 3-ethylphenyl ester

InChI

InChI=1S/C25H40O4/c1-5-7-8-9-10-11-12-13-14-15-19-28-23(26)25(3,4)24(27)29-22-18-16-17-21(6-2)20-22/h16-18,20H,5-15,19H2,1-4H3

InChI Key

APYPNHJFTGZRTE-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

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

Molecular Weight¹

404.58

• 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°	55.48	kJ/mol	Joback Calculated Property
log10WS	-6.87		Relay (1.0) Calculated Property
logPoct/wat	6.645		Crippen Calculated Property
McVol	354.230	ml/mol	McGowan Calculated Property
Pc	933.49	kPa	Joback Calculated Property
Inp	[2757.00; 2757.00]
Inp	2757.00		NIST
Inp	2757.00		NIST
Tboil	644.31	K	Relay (1.0) Calculated Property
Tfus	277.87	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	[1165.78; 1249.80]	J/mol×K	[916.47; 1123.70]
Cp,gas	1165.78	J/mol×K	916.47	Joback Calculated Property
Cp,gas	1183.08	J/mol×K	951.01	Joback Calculated Property
Cp,gas	1198.97	J/mol×K	985.55	Joback Calculated Property
Cp,gas	1213.53	J/mol×K	1020.09	Joback Calculated Property
Cp,gas	1226.81	J/mol×K	1054.62	Joback Calculated Property
Cp,gas	1238.88	J/mol×K	1089.16	Joback Calculated Property
Cp,gas	1249.80	J/mol×K	1123.70	Joback Calculated Property
η	[0.0000156; 0.0004517]	Pa×s	[497.53; 916.47]
η	0.0004517	Pa×s	497.53	Joback Calculated Property
η	0.0001824	Pa×s	567.35	Joback Calculated Property
η	0.0000898	Pa×s	637.18	Joback Calculated Property
η	0.0000509	Pa×s	707.00	Joback Calculated Property
η	0.0000319	Pa×s	776.82	Joback Calculated Property
η	0.0000216	Pa×s	846.65	Joback Calculated Property
η	0.0000156	Pa×s	916.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dodecyl 3-ethylphenyl 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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