Chemical Properties of Dimethylmalonic acid, 2-isopropoxyphenyl propyl ester

InChI

InChI=1S/C17H24O5/c1-6-11-20-15(18)17(4,5)16(19)22-14-10-8-7-9-13(14)21-12(2)3/h7-10,12H,6,11H2,1-5H3

InChI Key

YQLZNIGRZGYMNG-UHFFFAOYSA-N

Formula

C17H24O5

SMILES

CCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

308.37

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.43	kJ/mol	Joback Calculated Property
ΔvapH°	82.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	3.359		Crippen Calculated Property
McVol	247.380	ml/mol	McGowan Calculated Property
Inp	[1901.00; 1901.00]
Inp	1901.00		NIST
Inp	1901.00		NIST
Tfus	292.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[357.71; 811.53]	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			1.79920e+01
Coefficient B			1.43940e+00
Coefficient C			-7.39960e-04
Coefficient D			9.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	357.71	J/mol×K	273.00	Calculated Property
Cp,gas	438.77	J/mol×K	353.78	Calculated Property
Cp,gas	511.48	J/mol×K	434.56	Calculated Property
Cp,gas	576.13	J/mol×K	515.33	Calculated Property
Cp,gas	633.02	J/mol×K	596.11	Calculated Property
Cp,gas	682.46	J/mol×K	676.89	Calculated Property
Cp,gas	724.73	J/mol×K	757.67	Calculated Property
Cp,gas	760.13	J/mol×K	838.44	Calculated Property
Cp,gas	788.97	J/mol×K	919.22	Calculated Property
Cp,gas	811.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010497; 0.0000609]	Pa×s	[414.60; 673.11]	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			-1.42717e+01
Coefficient B			3.07321e+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.			414.60
Temperature range, max.			673.11
η	0.0010497	Pa×s	414.60	Calculated Property
η	0.0006494	Pa×s	443.32	Calculated Property
η	0.0004259	Pa×s	472.05	Calculated Property
η	0.0002932	Pa×s	500.77	Calculated Property
η	0.0002102	Pa×s	529.50	Calculated Property
η	0.0001559	Pa×s	558.22	Calculated Property
η	0.0001191	Pa×s	586.94	Calculated Property
η	0.0000933	Pa×s	615.67	Calculated Property
η	0.0000747	Pa×s	644.39	Calculated Property
η	0.0000609	Pa×s	673.11	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-isopropoxyphenyl propyl 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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