Chemical Properties of Formic acid, 3-methylbut-2-yl ester

InChI

InChI=1S/C6H12O2/c1-5(2)6(3)8-4-7/h4-6H,1-3H3

InChI Key

XEQSPMCNFJQDHU-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC(C)C(C)OC=O

Molecular Weight¹

116.16

• 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

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	[142.96; 321.93]	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			-9.30000e-01
Coefficient B			6.33960e-01
Coefficient C			-4.21800e-04
Coefficient D			1.10700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.96	J/mol×K	273.00	Calculated Property
Cp,gas	175.46	J/mol×K	353.78	Calculated Property
Cp,gas	203.99	J/mol×K	434.56	Calculated Property
Cp,gas	228.90	J/mol×K	515.33	Calculated Property
Cp,gas	250.54	J/mol×K	596.11	Calculated Property
Cp,gas	269.26	J/mol×K	676.89	Calculated Property
Cp,gas	285.41	J/mol×K	757.67	Calculated Property
Cp,gas	299.34	J/mol×K	838.44	Calculated Property
Cp,gas	311.39	J/mol×K	919.22	Calculated Property
Cp,gas	321.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043776; 0.0003414]	Pa×s	[186.08; 400.55]	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			-1.01960e+01
Coefficient B			8.86630e+02
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.			186.08
Temperature range, max.			400.55
η	0.0043776	Pa×s	186.08	Calculated Property
η	0.0025487	Pa×s	209.91	Calculated Property
η	0.0016569	Pa×s	233.74	Calculated Property
η	0.0011665	Pa×s	257.57	Calculated Property
η	0.0008715	Pa×s	281.40	Calculated Property
η	0.0006815	Pa×s	305.23	Calculated Property
η	0.0005522	Pa×s	329.06	Calculated Property
η	0.0004603	Pa×s	352.89	Calculated Property
η	0.0003927	Pa×s	376.72	Calculated Property
η	0.0003414	Pa×s	400.55	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 3-methylbut-2-yl 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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