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

InChI

InChI=1S/C33H40O4/c1-33(2,31(34)36-29(27-19-11-5-12-20-27)23-25-15-7-3-8-16-25)32(35)37-30(28-21-13-6-14-22-28)24-26-17-9-4-10-18-26/h5-7,9,11-15,17,19-22,25-26,29-30H,3-4,8,10,16,18,23-24H2,1-2H3

InChI Key

CBHUXZAKRXLXKL-UHFFFAOYSA-N

Formula

C33H40O4

SMILES

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

Molecular Weight¹

500.68

• 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).
• IE : Ionization energy (eV).
• 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°	49.70	kJ/mol	Joback Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
logPoct/wat	8.074		Crippen Calculated Property
McVol	412.870	ml/mol	McGowan Calculated Property
Inp	[3400.00; 3400.00]
Inp	3400.00		NIST
Inp	3400.00		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, 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	[532.42; 1411.09]	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			-1.87588e+02
Coefficient B			3.14124e+00
Coefficient C			-1.95936e-03
Coefficient D			4.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	532.42	J/mol×K	273.00	Calculated Property
Cp,gas	696.94	J/mol×K	353.78	Calculated Property
Cp,gas	841.66	J/mol×K	434.56	Calculated Property
Cp,gas	967.90	J/mol×K	515.33	Calculated Property
Cp,gas	1076.97	J/mol×K	596.11	Calculated Property
Cp,gas	1170.21	J/mol×K	676.89	Calculated Property
Cp,gas	1248.92	J/mol×K	757.67	Calculated Property
Cp,gas	1314.43	J/mol×K	838.44	Calculated Property
Cp,gas	1368.04	J/mol×K	919.22	Calculated Property
Cp,gas	1411.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002086; 0.0000082]	Pa×s	[587.87; 995.61]	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			-1.63630e+01
Coefficient B			4.63720e+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.			587.87
Temperature range, max.			995.61
η	0.0002086	Pa×s	587.87	Calculated Property
η	0.0001187	Pa×s	633.17	Calculated Property
η	0.0000728	Pa×s	678.48	Calculated Property
η	0.0000474	Pa×s	723.78	Calculated Property
η	0.0000325	Pa×s	769.09	Calculated Property
η	0.0000233	Pa×s	814.39	Calculated Property
η	0.0000172	Pa×s	859.70	Calculated Property
η	0.0000132	Pa×s	905.00	Calculated Property
η	0.0000103	Pa×s	950.31	Calculated Property
η	0.0000082	Pa×s	995.61	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.