Chemical Properties of Dimethylmalonic acid, monochloride, 4-(4-methoxyphenyl)cyclohexyl ester

InChI

InChI=1S/C18H23ClO4/c1-18(2,16(19)20)17(21)23-15-10-6-13(7-11-15)12-4-8-14(22-3)9-5-12/h4-5,8-9,13,15H,6-7,10-11H2,1-3H3

InChI Key

BGQWDRVFTCSLSY-UHFFFAOYSA-N

Formula

C18H23ClO4

SMILES

COc1ccc(C2CCC(OC(=O)C(C)(C)C(=O)Cl)CC2)cc1

Molecular Weight¹

338.83

• 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°	32.87	kJ/mol	Joback Calculated Property
logPoct/wat	4.056		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Inp	[2576.00; 2576.00]
Inp	2576.00		NIST
Inp	2576.00		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	[341.38; 843.50]	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			-4.60600e+01
Coefficient B			1.65766e+00
Coefficient C			-9.13060e-04
Coefficient D			1.44960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.38	J/mol×K	273.00	Calculated Property
Cp,gas	432.52	J/mol×K	353.78	Calculated Property
Cp,gas	513.76	J/mol×K	434.56	Calculated Property
Cp,gas	585.55	J/mol×K	515.33	Calculated Property
Cp,gas	648.34	J/mol×K	596.11	Calculated Property
Cp,gas	702.60	J/mol×K	676.89	Calculated Property
Cp,gas	748.79	J/mol×K	757.67	Calculated Property
Cp,gas	787.37	J/mol×K	838.44	Calculated Property
Cp,gas	818.78	J/mol×K	919.22	Calculated Property
Cp,gas	843.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008121; 0.0000885]	Pa×s	[481.53; 742.80]	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			-1.34165e+01
Coefficient B			3.03392e+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.			481.53
Temperature range, max.			742.80
η	0.0008121	Pa×s	481.53	Calculated Property
η	0.0005676	Pa×s	510.56	Calculated Property
η	0.0004123	Pa×s	539.59	Calculated Property
η	0.0003094	Pa×s	568.62	Calculated Property
η	0.0002388	Pa×s	597.65	Calculated Property
η	0.0001887	Pa×s	626.68	Calculated Property
η	0.0001523	Pa×s	655.71	Calculated Property
η	0.0001252	Pa×s	684.74	Calculated Property
η	0.0001045	Pa×s	713.77	Calculated Property
η	0.0000885	Pa×s	742.80	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, 4-(4-methoxyphenyl)cyclohexyl 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

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