Chemical Properties of Formic acid, 3-ethylpent-3-yl ester

InChI

InChI=1S/C8H16O2/c1-4-8(5-2,6-3)10-7-9/h7H,4-6H2,1-3H3

InChI Key

FDNBSOFNQQDCAE-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCC(CC)(CC)OC=O

Molecular Weight¹

144.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-512.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.11	kJ/mol	Joback Calculated Property
ΔvapH°	52.85	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Inp	[972.00; 972.00]
Inp	972.00		NIST
Inp	972.00		NIST
Tboil	439.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[184.55; 425.50]	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			-2.38570e+01
Coefficient B			9.37960e-01
Coefficient C			-6.96000e-04
Coefficient D			2.07400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.55	J/mol×K	273.00	Calculated Property
Cp,gas	230.05	J/mol×K	353.78	Calculated Property
Cp,gas	269.33	J/mol×K	434.56	Calculated Property
Cp,gas	303.05	J/mol×K	515.33	Calculated Property
Cp,gas	331.88	J/mol×K	596.11	Calculated Property
Cp,gas	356.47	J/mol×K	676.89	Calculated Property
Cp,gas	377.47	J/mol×K	757.67	Calculated Property
Cp,gas	395.54	J/mol×K	838.44	Calculated Property
Cp,gas	411.33	J/mol×K	919.22	Calculated Property
Cp,gas	425.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040870; 0.0004220]	Pa×s	[241.04; 431.53]	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			-1.06437e+01
Coefficient B			1.23985e+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.			241.04
Temperature range, max.			431.53
η	0.0040870	Pa×s	241.04	Calculated Property
η	0.0026982	Pa×s	262.21	Calculated Property
η	0.0018954	Pa×s	283.37	Calculated Property
η	0.0013984	Pa×s	304.54	Calculated Property
η	0.0010733	Pa×s	325.70	Calculated Property
η	0.0008509	Pa×s	346.87	Calculated Property
η	0.0006928	Pa×s	368.03	Calculated Property
η	0.0005768	Pa×s	389.20	Calculated Property
η	0.0004894	Pa×s	410.36	Calculated Property
η	0.0004220	Pa×s	431.53	Calculated Property

Similar Compounds

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