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

InChI

InChI=1S/C8H16O2/c1-4-5-8(7(2)3)10-6-9/h6-8H,4-5H2,1-3H3

InChI Key

LDFFBAOWKRPSLG-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCC(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	[185.38; 425.11]	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			-2.74800e+00
Coefficient B			8.23960e-01
Coefficient C			-5.30600e-04
Coefficient D			1.34500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.38	J/mol×K	273.00	Calculated Property
Cp,gas	228.30	J/mol×K	353.78	Calculated Property
Cp,gas	266.15	J/mol×K	434.56	Calculated Property
Cp,gas	299.36	J/mol×K	515.33	Calculated Property
Cp,gas	328.37	J/mol×K	596.11	Calculated Property
Cp,gas	353.59	J/mol×K	676.89	Calculated Property
Cp,gas	375.44	J/mol×K	757.67	Calculated Property
Cp,gas	394.37	J/mol×K	838.44	Calculated Property
Cp,gas	410.78	J/mol×K	919.22	Calculated Property
Cp,gas	425.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053802; 0.0003769]	Pa×s	[208.62; 431.00]	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			-1.03777e+01
Coefficient B			1.07495e+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.			208.62
Temperature range, max.			431.00
η	0.0053802	Pa×s	208.62	Calculated Property
η	0.0031176	Pa×s	233.33	Calculated Property
η	0.0020055	Pa×s	258.04	Calculated Property
η	0.0013936	Pa×s	282.75	Calculated Property
η	0.0010267	Pa×s	307.46	Calculated Property
η	0.0007916	Pa×s	332.17	Calculated Property
η	0.0006327	Pa×s	356.87	Calculated Property
η	0.0005205	Pa×s	381.58	Calculated Property
η	0.0004386	Pa×s	406.29	Calculated Property
η	0.0003769	Pa×s	431.00	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 2-methylhex-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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