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

InChI

InChI=1S/C7H14O2/c1-6(9-5-8)7(2,3)4/h5-6H,1-4H3

InChI Key

NQDIBLMCETWWEX-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CC(OC=O)C(C)(C)C

Molecular Weight¹

130.19

• 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	[163.03; 374.45]	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			-2.46300e+01
Coefficient B			8.48880e-01
Coefficient C			-6.44800e-04
Coefficient D			1.95000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.03	J/mol×K	273.00	Calculated Property
Cp,gas	203.62	J/mol×K	353.78	Calculated Property
Cp,gas	238.49	J/mol×K	434.56	Calculated Property
Cp,gas	268.27	J/mol×K	515.33	Calculated Property
Cp,gas	293.57	J/mol×K	596.11	Calculated Property
Cp,gas	315.01	J/mol×K	676.89	Calculated Property
Cp,gas	333.20	J/mol×K	757.67	Calculated Property
Cp,gas	348.76	J/mol×K	838.44	Calculated Property
Cp,gas	362.30	J/mol×K	919.22	Calculated Property
Cp,gas	374.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056821; 0.0003870]	Pa×s	[214.77; 419.09]	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			-1.06810e+01
Coefficient B			1.18351e+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.			214.77
Temperature range, max.			419.09
η	0.0056821	Pa×s	214.77	Calculated Property
η	0.0033552	Pa×s	237.47	Calculated Property
η	0.0021720	Pa×s	260.17	Calculated Property
η	0.0015077	Pa×s	282.88	Calculated Property
η	0.0011049	Pa×s	305.58	Calculated Property
η	0.0008453	Pa×s	328.28	Calculated Property
η	0.0006695	Pa×s	350.98	Calculated Property
η	0.0005455	Pa×s	373.68	Calculated Property
η	0.0004550	Pa×s	396.38	Calculated Property
η	0.0003870	Pa×s	419.09	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 3,3-dimethylbut-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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