Chemical Properties of Diethylmalonic acid, 2,3-dimethylphenyl tridecyl ester

InChI

InChI=1S/C28H46O4/c1-6-9-10-11-12-13-14-15-16-17-18-22-31-26(29)28(7-2,8-3)27(30)32-25-21-19-20-23(4)24(25)5/h19-21H,6-18,22H2,1-5H3

InChI Key

RYTWXOWMMFNORR-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

446.67

• 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°	59.70	kJ/mol	Joback Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	7.869		Crippen Calculated Property
McVol	396.500	ml/mol	McGowan Calculated Property
Pc	819.13	kPa	Joback Calculated Property
Inp	[3014.00; 3014.00]
Inp	3014.00		NIST
Inp	3014.00		NIST
Tboil	673.61	K	Relay (1.0) Calculated Property
Tfus	329.14	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	[1368.85; 1454.63]	J/mol×K	[1026.03; 1258.19]
Cp,gas	1368.85	J/mol×K	1026.03	Joback Calculated Property
Cp,gas	1386.88	J/mol×K	1064.72	Joback Calculated Property
Cp,gas	1403.30	J/mol×K	1103.42	Joback Calculated Property
Cp,gas	1418.21	J/mol×K	1142.11	Joback Calculated Property
Cp,gas	1431.67	J/mol×K	1180.80	Joback Calculated Property
Cp,gas	1443.79	J/mol×K	1219.50	Joback Calculated Property
Cp,gas	1454.63	J/mol×K	1258.19	Joback Calculated Property
η	[0.0000129; 0.0001789]	Pa×s	[603.52; 1026.03]
η	0.0001789	Pa×s	603.52	Joback Calculated Property
η	0.0000918	Pa×s	673.94	Joback Calculated Property
η	0.0000534	Pa×s	744.36	Joback Calculated Property
η	0.0000341	Pa×s	814.77	Joback Calculated Property
η	0.0000234	Pa×s	885.19	Joback Calculated Property
η	0.0000170	Pa×s	955.61	Joback Calculated Property
η	0.0000129	Pa×s	1026.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl tridecyl 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.