Chemical Properties of Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl tridecyl ester

InChI

InChI=1S/C32H50O4/c1-4-5-6-7-8-9-10-11-12-13-20-25-35-30(33)32(2,3)31(34)36-29(28-23-18-15-19-24-28)26-27-21-16-14-17-22-27/h15-16,18-19,21,23-24,27,29H,4-14,17,20,22,25-26H2,1-3H3

InChI Key

NTAGOVGMGYPSMP-UHFFFAOYSA-N

Formula

C32H50O4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

498.74

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	63.54	kJ/mol	Joback Calculated Property
logPoct/wat	8.898		Crippen Calculated Property
McVol	437.700	ml/mol	McGowan Calculated Property
Inp	[3294.00; 3294.00]
Inp	3294.00		NIST
Inp	3294.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[613.37; 1523.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.32670e+01
Coefficient B			3.05316e+00
Coefficient C			-1.80228e-03
Coefficient D			3.66100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	613.37	J/mol×K	273.00	Calculated Property
Cp,gas	777.51	J/mol×K	353.78	Calculated Property
Cp,gas	923.20	J/mol×K	434.56	Calculated Property
Cp,gas	1051.60	J/mol×K	515.33	Calculated Property
Cp,gas	1163.87	J/mol×K	596.11	Calculated Property
Cp,gas	1261.16	J/mol×K	676.89	Calculated Property
Cp,gas	1344.63	J/mol×K	757.67	Calculated Property
Cp,gas	1415.44	J/mol×K	838.44	Calculated Property
Cp,gas	1474.75	J/mol×K	919.22	Calculated Property
Cp,gas	1523.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002387; 0.0000095]	Pa×s	[557.04; 935.77]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.63169e+01
Coefficient B			4.44329e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			557.04
Temperature range, max.			935.77
η	0.0002387	Pa×s	557.04	Calculated Property
η	0.0001363	Pa×s	599.12	Calculated Property
η	0.0000838	Pa×s	641.20	Calculated Property
η	0.0000547	Pa×s	683.28	Calculated Property
η	0.0000375	Pa×s	725.37	Calculated Property
η	0.0000268	Pa×s	767.45	Calculated Property
η	0.0000198	Pa×s	809.53	Calculated Property
η	0.0000151	Pa×s	851.61	Calculated Property
η	0.0000118	Pa×s	893.69	Calculated Property
η	0.0000095	Pa×s	935.77	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl tridecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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