Chemical Properties of Ethyl-3, 4-dihydro-2, -h-pyran carboxylate

InChI

InChI=1S/C8H12O3/c1-2-10-8(9)7-5-3-4-6-11-7/h4,6-7H,2-3,5H2,1H3

InChI Key

HXBSUCZDAYLJDO-UHFFFAOYSA-N

Formula

C8H12O3

SMILES

CCOC(=O)C1CCC=CO1

Molecular Weight¹

156.18

Other Names

• 2H-Pyran-2-carboxylic acid, 3,4-dihydro-, ethyl ester

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, 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	[164.30; 413.46]	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			-1.94790e+01
Coefficient B			7.72120e-01
Coefficient C			-3.71180e-04
Coefficient D			3.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.30	J/mol×K	273.00	Calculated Property
Cp,gas	208.64	J/mol×K	353.78	Calculated Property
Cp,gas	248.58	J/mol×K	434.56	Calculated Property
Cp,gas	284.23	J/mol×K	515.33	Calculated Property
Cp,gas	315.67	J/mol×K	596.11	Calculated Property
Cp,gas	343.02	J/mol×K	676.89	Calculated Property
Cp,gas	366.37	J/mol×K	757.67	Calculated Property
Cp,gas	385.83	J/mol×K	838.44	Calculated Property
Cp,gas	401.49	J/mol×K	919.22	Calculated Property
Cp,gas	413.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061775; 0.0002668]	Pa×s	[256.96; 487.11]	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			-1.17370e+01
Coefficient B			1.70882e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			256.96
Temperature range, max.			487.11
η	0.0061775	Pa×s	256.96	Calculated Property
η	0.0033838	Pa×s	282.53	Calculated Property
η	0.0020483	Pa×s	308.10	Calculated Property
η	0.0013391	Pa×s	333.68	Calculated Property
η	0.0009300	Pa×s	359.25	Calculated Property
η	0.0006780	Pa×s	384.82	Calculated Property
η	0.0005141	Pa×s	410.39	Calculated Property
η	0.0004027	Pa×s	435.96	Calculated Property
η	0.0003241	Pa×s	461.53	Calculated Property
η	0.0002668	Pa×s	487.11	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl-3, 4-dihydro-2, -h-pyran carboxylate.

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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