Chemical Properties of Formic acid, 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C8H16O2/c1-6(2)8(7(3)4)10-5-9/h5-8H,1-4H3

InChI Key

BATCZJUOZNYSLS-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

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

Molecular Weight¹

144.21

• 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	[185.07; 425.65]	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			-4.43000e+00
Coefficient B			8.29880e-01
Coefficient C			-5.33800e-04
Coefficient D			1.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.07	J/mol×K	273.00	Calculated Property
Cp,gas	228.29	J/mol×K	353.78	Calculated Property
Cp,gas	266.39	J/mol×K	434.56	Calculated Property
Cp,gas	299.81	J/mol×K	515.33	Calculated Property
Cp,gas	328.97	J/mol×K	596.11	Calculated Property
Cp,gas	354.29	J/mol×K	676.89	Calculated Property
Cp,gas	376.19	J/mol×K	757.67	Calculated Property
Cp,gas	395.10	J/mol×K	838.44	Calculated Property
Cp,gas	411.45	J/mol×K	919.22	Calculated Property
Cp,gas	425.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085270; 0.0003546]	Pa×s	[193.62; 433.45]	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			-1.05117e+01
Coefficient B			1.11277e+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.			193.62
Temperature range, max.			433.45
η	0.0085270	Pa×s	193.62	Calculated Property
η	0.0042543	Pa×s	220.27	Calculated Property
η	0.0024663	Pa×s	246.92	Calculated Property
η	0.0015900	Pa×s	273.56	Calculated Property
η	0.0011081	Pa×s	300.21	Calculated Property
η	0.0008191	Pa×s	326.86	Calculated Property
η	0.0006337	Pa×s	353.51	Calculated Property
η	0.0005082	Pa×s	380.16	Calculated Property
η	0.0004196	Pa×s	406.81	Calculated Property
η	0.0003546	Pa×s	433.45	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 2,4-dimethylpent-3-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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