Chemical Properties of 2,3,4,7-Tetrahydrooxepin-2-ol (CAS 41793-28-6)

InChI

InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1,3,6-7H,2,4-5H2

InChI Key

JXMYHVAOAIWGIK-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

OC1CCC=CCO1

Molecular Weight¹

114.14

CAS

41793-28-6

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

Physical Properties

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, 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	[113.14; 322.62]	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			-4.29000e+01
Coefficient B			6.61300e-01
Coefficient C			-3.40980e-04
Coefficient D			4.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.14	J/mol×K	273.00	Calculated Property
Cp,gas	150.38	J/mol×K	353.78	Calculated Property
Cp,gas	183.79	J/mol×K	434.56	Calculated Property
Cp,gas	213.52	J/mol×K	515.33	Calculated Property
Cp,gas	239.72	J/mol×K	596.11	Calculated Property
Cp,gas	262.52	J/mol×K	676.89	Calculated Property
Cp,gas	282.06	J/mol×K	757.67	Calculated Property
Cp,gas	298.50	J/mol×K	838.44	Calculated Property
Cp,gas	311.97	J/mol×K	919.22	Calculated Property
Cp,gas	322.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0647900; 0.0001815]	Pa×s	[249.39; 478.17]	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			-1.50215e+01
Coefficient B			3.06374e+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.			249.39
Temperature range, max.			478.17
η	0.0647900	Pa×s	249.39	Calculated Property
η	0.0207970	Pa×s	274.81	Calculated Property
η	0.0080921	Pa×s	300.23	Calculated Property
η	0.0036486	Pa×s	325.65	Calculated Property
η	0.0018462	Pa×s	351.07	Calculated Property
η	0.0010242	Pa×s	376.49	Calculated Property
η	0.0006121	Pa×s	401.91	Calculated Property
η	0.0003890	Pa×s	427.33	Calculated Property
η	0.0002601	Pa×s	452.75	Calculated Property
η	0.0001815	Pa×s	478.17	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,7-Tetrahydrooxepin-2-ol.

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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