Chemical Properties of Formic acid, cycloheptyl ester

InChI

InChI=1S/C8H14O2/c9-7-10-8-5-3-1-2-4-6-8/h7-8H,1-6H2

InChI Key

KQPTVERBLKLHLD-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

O=COC1CCCCCC1

Molecular Weight¹

142.20

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Standard Gibbs free energy of formation, Acentric Factor, 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	[143.00; 410.89]	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			-7.01100e+01
Coefficient B			9.24600e-01
Coefficient C			-5.58800e-04
Coefficient D			1.15200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.00	J/mol×K	273.00	Calculated Property
Cp,gas	192.16	J/mol×K	353.78	Calculated Property
Cp,gas	235.61	J/mol×K	434.56	Calculated Property
Cp,gas	273.73	J/mol×K	515.33	Calculated Property
Cp,gas	306.89	J/mol×K	596.11	Calculated Property
Cp,gas	335.44	J/mol×K	676.89	Calculated Property
Cp,gas	359.75	J/mol×K	757.67	Calculated Property
Cp,gas	380.19	J/mol×K	838.44	Calculated Property
Cp,gas	397.11	J/mol×K	919.22	Calculated Property
Cp,gas	410.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053315; 0.0003614]	Pa×s	[242.48; 473.71]	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			-1.07478e+01
Coefficient B			1.33695e+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.			242.48
Temperature range, max.			473.71
η	0.0053315	Pa×s	242.48	Calculated Property
η	0.0031437	Pa×s	268.17	Calculated Property
η	0.0020330	Pa×s	293.87	Calculated Property
η	0.0014102	Pa×s	319.56	Calculated Property
η	0.0010329	Pa×s	345.25	Calculated Property
η	0.0007899	Pa×s	370.94	Calculated Property
η	0.0006254	Pa×s	396.64	Calculated Property
η	0.0005095	Pa×s	422.33	Calculated Property
η	0.0004249	Pa×s	448.02	Calculated Property
η	0.0003614	Pa×s	473.71	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, cycloheptyl 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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