Chemical Properties of Dimethylmalonic acid, dodecyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C26H42O5/c1-6-7-8-9-10-11-12-13-14-17-20-29-24(27)26(4,5)25(28)31-23-19-16-15-18-22(23)30-21(2)3/h15-16,18-19,21H,6-14,17,20H2,1-5H3

InChI Key

YIEZQINOCHYMDQ-UHFFFAOYSA-N

Formula

C26H42O5

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

434.62

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.74	kJ/mol	Joback Calculated Property
log10WS	-6.32		Relay (1.0) Calculated Property
logPoct/wat	6.870		Crippen Calculated Property
McVol	374.190	ml/mol	McGowan Calculated Property
Pc	876.36	kPa	Joback Calculated Property
Inp	[2749.00; 2749.00]
Inp	2749.00		NIST
Inp	2749.00		NIST
Tboil	646.36	K	Relay (1.0) Calculated Property
Tfus	302.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[548.64; 1275.85]	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			9.81100e+00
Coefficient B			2.29440e+00
Coefficient C			-1.22956e-03
Coefficient D			2.01200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	548.64	J/mol×K	273.00	Calculated Property
Cp,gas	676.54	J/mol×K	353.78	Calculated Property
Cp,gas	791.18	J/mol×K	434.56	Calculated Property
Cp,gas	893.19	J/mol×K	515.33	Calculated Property
Cp,gas	983.23	J/mol×K	596.11	Calculated Property
Cp,gas	1061.91	J/mol×K	676.89	Calculated Property
Cp,gas	1129.87	J/mol×K	757.67	Calculated Property
Cp,gas	1187.76	J/mol×K	838.44	Calculated Property
Cp,gas	1236.21	J/mol×K	919.22	Calculated Property
Cp,gas	1275.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002970; 0.0000174]	Pa×s	[516.03; 823.90]	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			-1.57195e+01
Coefficient B			3.92065e+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.			516.03
Temperature range, max.			823.90
η	0.0002970	Pa×s	516.03	Calculated Property
η	0.0001852	Pa×s	550.24	Calculated Property
η	0.0001220	Pa×s	584.45	Calculated Property
η	0.0000842	Pa×s	618.65	Calculated Property
η	0.0000604	Pa×s	652.86	Calculated Property
η	0.0000448	Pa×s	687.07	Calculated Property
η	0.0000342	Pa×s	721.28	Calculated Property
η	0.0000267	Pa×s	755.48	Calculated Property
η	0.0000213	Pa×s	789.69	Calculated Property
η	0.0000174	Pa×s	823.90	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dodecyl 2-isopropoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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