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

InChI

InChI=1S/C28H42O4/c1-4-5-6-7-8-9-16-21-31-26(29)28(2,3)27(30)32-25(24-19-14-11-15-20-24)22-23-17-12-10-13-18-23/h11-12,14-15,17,19-20,23,25H,4-10,13,16,18,21-22H2,1-3H3

InChI Key

RCLYKKHXFZUHCL-UHFFFAOYSA-N

Formula

C28H42O4

SMILES

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

Molecular Weight¹

442.64

• 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°	53.17	kJ/mol	Joback Calculated Property
logPoct/wat	7.337		Crippen Calculated Property
McVol	381.340	ml/mol	McGowan Calculated Property
Inp	[2873.00; 2873.00]
Inp	2873.00		NIST
Inp	2873.00		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	[528.52; 1317.35]	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			-8.96310e+01
Coefficient B			2.67316e+00
Coefficient C			-1.58468e-03
Coefficient D			3.18500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	528.52	J/mol×K	273.00	Calculated Property
Cp,gas	671.84	J/mol×K	353.78	Calculated Property
Cp,gas	798.89	J/mol×K	434.56	Calculated Property
Cp,gas	910.69	J/mol×K	515.33	Calculated Property
Cp,gas	1008.22	J/mol×K	596.11	Calculated Property
Cp,gas	1092.51	J/mol×K	676.89	Calculated Property
Cp,gas	1164.56	J/mol×K	757.67	Calculated Property
Cp,gas	1225.38	J/mol×K	838.44	Calculated Property
Cp,gas	1275.97	J/mol×K	919.22	Calculated Property
Cp,gas	1317.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004542; 0.0000185]	Pa×s	[511.96; 857.05]	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			-1.56402e+01
Coefficient B			4.06665e+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.			511.96
Temperature range, max.			857.05
η	0.0004542	Pa×s	511.96	Calculated Property
η	0.0002612	Pa×s	550.30	Calculated Property
η	0.0001614	Pa×s	588.65	Calculated Property
η	0.0001058	Pa×s	626.99	Calculated Property
η	0.0000728	Pa×s	665.34	Calculated Property
η	0.0000522	Pa×s	703.68	Calculated Property
η	0.0000387	Pa×s	742.02	Calculated Property
η	0.0000296	Pa×s	780.37	Calculated Property
η	0.0000232	Pa×s	818.71	Calculated Property
η	0.0000185	Pa×s	857.05	Calculated Property

Similar Compounds

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