Chemical Properties of 2H-Pyran

InChI

InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2

InChI Key

MGADZUXDNSDTHW-UHFFFAOYSA-N

Formula

C5H6O

SMILES

C1=CCOC=C1

Molecular Weight¹

82.10

• 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).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.89	kJ/mol	Joback Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
logPoct/wat	1.087		Crippen Calculated Property
McVol	67.720	ml/mol	McGowan Calculated Property
I	[1775.00; 1775.00]
I	1775.00		NIST
I	1775.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[75.58; 212.62]	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			-4.03200e+01
Coefficient B			5.12400e-01
Coefficient C			-3.45260e-04
Coefficient D			8.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	75.58	J/mol×K	273.00	Calculated Property
Cp,gas	101.54	J/mol×K	353.78	Calculated Property
Cp,gas	124.19	J/mol×K	434.56	Calculated Property
Cp,gas	143.79	J/mol×K	515.33	Calculated Property
Cp,gas	160.61	J/mol×K	596.11	Calculated Property
Cp,gas	174.94	J/mol×K	676.89	Calculated Property
Cp,gas	187.03	J/mol×K	757.67	Calculated Property
Cp,gas	197.16	J/mol×K	838.44	Calculated Property
Cp,gas	205.60	J/mol×K	919.22	Calculated Property
Cp,gas	212.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0070354; 0.0002247]	Pa×s	[185.82; 402.60]	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			-1.13530e+01
Coefficient B			1.18855e+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.			185.82
Temperature range, max.			402.60
η	0.0070354	Pa×s	185.82	Calculated Property
η	0.0033770	Pa×s	209.91	Calculated Property
η	0.0018854	Pa×s	233.99	Calculated Property
η	0.0011736	Pa×s	258.08	Calculated Property
η	0.0007921	Pa×s	282.17	Calculated Property
η	0.0005687	Pa×s	306.26	Calculated Property
η	0.0004285	Pa×s	330.34	Calculated Property
η	0.0003356	Pa×s	354.43	Calculated Property
η	0.0002711	Pa×s	378.52	Calculated Property
η	0.0002247	Pa×s	402.60	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran.

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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