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

InChI

InChI=1S/C23H32O4/c1-4-5-16-26-21(24)23(2,3)22(25)27-20(19-14-10-7-11-15-19)17-18-12-8-6-9-13-18/h7-8,10-12,14-15,18,20H,4-6,9,13,16-17H2,1-3H3

InChI Key

YTIJBNMRBBRZJG-UHFFFAOYSA-N

Formula

C23H32O4

SMILES

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

Molecular Weight¹

372.50

• 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°	40.22	kJ/mol	Joback Calculated Property
logPoct/wat	5.387		Crippen Calculated Property
McVol	310.890	ml/mol	McGowan Calculated Property
Inp	[2403.00; 2403.00]
Inp	2403.00		NIST
Inp	2403.00		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	[422.45; 1059.39]	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			-8.50860e+01
Coefficient B			2.19816e+00
Coefficient C			-1.31268e-03
Coefficient D			2.59000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	422.45	J/mol×K	273.00	Calculated Property
Cp,gas	539.75	J/mol×K	353.78	Calculated Property
Cp,gas	643.51	J/mol×K	434.56	Calculated Property
Cp,gas	734.54	J/mol×K	515.33	Calculated Property
Cp,gas	813.67	J/mol×K	596.11	Calculated Property
Cp,gas	881.71	J/mol×K	676.89	Calculated Property
Cp,gas	939.48	J/mol×K	757.67	Calculated Property
Cp,gas	987.81	J/mol×K	838.44	Calculated Property
Cp,gas	1027.51	J/mol×K	919.22	Calculated Property
Cp,gas	1059.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009825; 0.0000382]	Pa×s	[455.61; 773.94]	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			-1.48177e+01
Coefficient B			3.59585e+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.			455.61
Temperature range, max.			773.94
η	0.0009825	Pa×s	455.61	Calculated Property
η	0.0005564	Pa×s	490.98	Calculated Property
η	0.0003402	Pa×s	526.35	Calculated Property
η	0.0002212	Pa×s	561.72	Calculated Property
η	0.0001514	Pa×s	597.09	Calculated Property
η	0.0001081	Pa×s	632.46	Calculated Property
η	0.0000800	Pa×s	667.83	Calculated Property
η	0.0000610	Pa×s	703.20	Calculated Property
η	0.0000478	Pa×s	738.57	Calculated Property
η	0.0000382	Pa×s	773.94	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, butyl 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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