Chemical Properties of Dimethylmalonic acid, 2-isopropoxyphenyl pentadecyl ester

InChI

InChI=1S/C29H48O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-27(30)29(4,5)28(31)34-26-22-19-18-21-25(26)33-24(2)3/h18-19,21-22,24H,6-17,20,23H2,1-5H3

InChI Key

FWIWARHJUVZHJD-UHFFFAOYSA-N

Formula

C29H48O5

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

476.69

• 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°	63.51	kJ/mol	Joback Calculated Property
log10WS	-7.16		Relay (1.0) Calculated Property
logPoct/wat	8.040		Crippen Calculated Property
McVol	416.460	ml/mol	McGowan Calculated Property
Pc	744.07	kPa	Joback Calculated Property
Inp	[3075.00; 3075.00]
Inp	3075.00		NIST
Inp	3075.00		NIST
Tboil	667.15	K	Relay (1.0) Calculated Property
Tfus	309.08	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	[612.28; 1430.62]	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			7.08400e+00
Coefficient B			2.57940e+00
Coefficient C			-1.39276e-03
Coefficient D			2.36900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	612.28	J/mol×K	273.00	Calculated Property
Cp,gas	755.79	J/mol×K	353.78	Calculated Property
Cp,gas	884.41	J/mol×K	434.56	Calculated Property
Cp,gas	998.88	J/mol×K	515.33	Calculated Property
Cp,gas	1099.96	J/mol×K	596.11	Calculated Property
Cp,gas	1188.39	J/mol×K	676.89	Calculated Property
Cp,gas	1264.92	J/mol×K	757.67	Calculated Property
Cp,gas	1330.31	J/mol×K	838.44	Calculated Property
Cp,gas	1385.29	J/mol×K	919.22	Calculated Property
Cp,gas	1430.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001879; 0.0000104]	Pa×s	[549.84; 885.40]	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			-1.62241e+01
Coefficient B			4.20313e+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.			549.84
Temperature range, max.			885.40
η	0.0001879	Pa×s	549.84	Calculated Property
η	0.0001156	Pa×s	587.12	Calculated Property
η	0.0000754	Pa×s	624.41	Calculated Property
η	0.0000516	Pa×s	661.69	Calculated Property
η	0.0000368	Pa×s	698.98	Calculated Property
η	0.0000271	Pa×s	736.26	Calculated Property
η	0.0000206	Pa×s	773.55	Calculated Property
η	0.0000160	Pa×s	810.83	Calculated Property
η	0.0000128	Pa×s	848.12	Calculated Property
η	0.0000104	Pa×s	885.40	Calculated Property

Similar Compounds

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

Sources

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

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