Chemical Properties of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C13H18O2/c1-9-6-10(2)8-11(7-9)15-12(14)13(3,4)5/h6-8H,1-5H3

InChI Key

UHUMTAJLAWWWEZ-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

Cc1cc(C)cc(OC(=O)C(C)(C)C)c1

Molecular Weight¹

206.28

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.64	kJ/mol	Joback Calculated Property
log10WS	-3.96		Relay (1.0) Calculated Property
logPoct/wat	3.255		Crippen Calculated Property
McVol	177.710	ml/mol	McGowan Calculated Property
Inp	[1400.00; 1400.00]
Inp	1400.00		NIST
Inp	1400.00		NIST
Tboil	515.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[243.98; 574.98]	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			-1.33000e+01
Coefficient B			1.11200e+00
Coefficient C			-6.57720e-04
Coefficient D			1.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.98	J/mol×K	273.00	Calculated Property
Cp,gas	303.71	J/mol×K	353.78	Calculated Property
Cp,gas	356.72	J/mol×K	434.56	Calculated Property
Cp,gas	403.42	J/mol×K	515.33	Calculated Property
Cp,gas	444.24	J/mol×K	596.11	Calculated Property
Cp,gas	479.61	J/mol×K	676.89	Calculated Property
Cp,gas	509.94	J/mol×K	757.67	Calculated Property
Cp,gas	535.66	J/mol×K	838.44	Calculated Property
Cp,gas	557.20	J/mol×K	919.22	Calculated Property
Cp,gas	574.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020425; 0.0001554]	Pa×s	[332.48; 562.26]	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			-1.24967e+01
Coefficient B			2.09568e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			332.48
Temperature range, max.			562.26
η	0.0020425	Pa×s	332.48	Calculated Property
η	0.0013030	Pa×s	358.01	Calculated Property
η	0.0008825	Pa×s	383.54	Calculated Property
η	0.0006275	Pa×s	409.07	Calculated Property
η	0.0004644	Pa×s	434.60	Calculated Property
η	0.0003554	Pa×s	460.14	Calculated Property
η	0.0002797	Pa×s	485.67	Calculated Property
η	0.0002255	Pa×s	511.20	Calculated Property
η	0.0001855	Pa×s	536.73	Calculated Property
η	0.0001554	Pa×s	562.26	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl 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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