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

InChI

InChI=1S/C12H16O2/c1-8(2)12(13)14-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3

InChI Key

UOOFSZVGPNDGKG-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

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

Molecular Weight¹

192.26

• 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).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.95	kJ/mol	Joback Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	2.865		Crippen Calculated Property
McVol	163.620	ml/mol	McGowan Calculated Property
Inp	[1381.00; 1381.00]
Inp	1381.00		NIST
Inp	1381.00		NIST
Tboil	506.86	K	Relay (1.0) Calculated Property
Tfus	282.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[223.91; 522.46]	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			1.04000e+01
Coefficient B			8.97080e-01
Coefficient C			-4.34720e-04
Coefficient D			4.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.91	J/mol×K	273.00	Calculated Property
Cp,gas	275.56	J/mol×K	353.78	Calculated Property
Cp,gas	322.22	J/mol×K	434.56	Calculated Property
Cp,gas	364.05	J/mol×K	515.33	Calculated Property
Cp,gas	401.21	J/mol×K	596.11	Calculated Property
Cp,gas	433.86	J/mol×K	676.89	Calculated Property
Cp,gas	462.15	J/mol×K	757.67	Calculated Property
Cp,gas	486.24	J/mol×K	838.44	Calculated Property
Cp,gas	506.29	J/mol×K	919.22	Calculated Property
Cp,gas	522.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023650; 0.0001721]	Pa×s	[303.79; 544.98]	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			-1.19682e+01
Coefficient B			1.79880e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			303.79
Temperature range, max.			544.98
η	0.0023650	Pa×s	303.79	Calculated Property
η	0.0014634	Pa×s	330.59	Calculated Property
η	0.0009731	Pa×s	357.39	Calculated Property
η	0.0006850	Pa×s	384.19	Calculated Property
η	0.0005048	Pa×s	410.99	Calculated Property
η	0.0003861	Pa×s	437.79	Calculated Property
η	0.0003047	Pa×s	464.58	Calculated Property
η	0.0002467	Pa×s	491.38	Calculated Property
η	0.0002041	Pa×s	518.18	Calculated Property
η	0.0001721	Pa×s	544.98	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylpropionic 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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