Chemical Properties of 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate (CAS 2386-87-0)

InChI

InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2

InChI Key

YXALYBMHAYZKAP-UHFFFAOYSA-N

Formula

C14H20O4

SMILES

O=C(OCC1CCC2OC2C1)C1CCC2OC2C1

Molecular Weight¹

252.31

CAS

2386-87-0

• 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).
• 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, 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	[254.51; 724.58]	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			-1.49119e+02
Coefficient B			1.80440e+00
Coefficient C			-1.29260e-03
Coefficient D			3.61900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.51	J/mol×K	273.00	Calculated Property
Cp,gas	343.48	J/mol×K	353.78	Calculated Property
Cp,gas	420.60	J/mol×K	434.56	Calculated Property
Cp,gas	487.00	J/mol×K	515.33	Calculated Property
Cp,gas	543.84	J/mol×K	596.11	Calculated Property
Cp,gas	592.26	J/mol×K	676.89	Calculated Property
Cp,gas	633.39	J/mol×K	757.67	Calculated Property
Cp,gas	668.40	J/mol×K	838.44	Calculated Property
Cp,gas	698.41	J/mol×K	919.22	Calculated Property
Cp,gas	724.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0102141; 0.0042016]	Pa×s	[236.15; 616.13]	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			-6.02434e+00
Coefficient B			3.40140e+02
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.			236.15
Temperature range, max.			616.13
η	0.0102141	Pa×s	236.15	Calculated Property
η	0.0082097	Pa×s	278.37	Calculated Property
η	0.0069894	Pa×s	320.59	Calculated Property
η	0.0061776	Pa×s	362.81	Calculated Property
η	0.0056024	Pa×s	405.03	Calculated Property
η	0.0051755	Pa×s	447.25	Calculated Property
η	0.0048468	Pa×s	489.47	Calculated Property
η	0.0045866	Pa×s	531.69	Calculated Property
η	0.0043758	Pa×s	573.91	Calculated Property
η	0.0042016	Pa×s	616.13	Calculated Property

Similar Compounds

Find more compounds similar to 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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