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

InChI

InChI=1S/C9H18O2/c1-4-6-7-9(3,5-2)11-8-10/h8H,4-7H2,1-3H3

InChI Key

XRGVQQICCUIZMF-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCCCC(C)(CC)OC=O

Molecular Weight¹

158.24

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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	[205.77; 477.09]	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			-2.47660e+01
Coefficient B			1.03296e+00
Coefficient C			-7.50400e-04
Coefficient D			2.19300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.77	J/mol×K	273.00	Calculated Property
Cp,gas	256.46	J/mol×K	353.78	Calculated Property
Cp,gas	300.40	J/mol×K	434.56	Calculated Property
Cp,gas	338.28	J/mol×K	515.33	Calculated Property
Cp,gas	370.79	J/mol×K	596.11	Calculated Property
Cp,gas	398.63	J/mol×K	676.89	Calculated Property
Cp,gas	422.48	J/mol×K	757.67	Calculated Property
Cp,gas	443.05	J/mol×K	838.44	Calculated Property
Cp,gas	461.02	J/mol×K	919.22	Calculated Property
Cp,gas	477.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042421; 0.0004255]	Pa×s	[252.31; 446.52]	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			-1.07499e+01
Coefficient B			1.33401e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			252.31
Temperature range, max.			446.52
η	0.0042421	Pa×s	252.31	Calculated Property
η	0.0027969	Pa×s	273.89	Calculated Property
η	0.0019597	Pa×s	295.47	Calculated Property
η	0.0014412	Pa×s	317.05	Calculated Property
η	0.0011022	Pa×s	338.63	Calculated Property
η	0.0008705	Pa×s	360.21	Calculated Property
η	0.0007061	Pa×s	381.79	Calculated Property
η	0.0005857	Pa×s	403.36	Calculated Property
η	0.0004952	Pa×s	424.94	Calculated Property
η	0.0004255	Pa×s	446.52	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 3-methylhept-3-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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