Chemical Properties of Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl- (CAS 6931-54-0)

InChI

InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3

InChI Key

OUXAABAEPHHZPC-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1(C)C2CCC3(CO3)C1C2

Molecular Weight¹

152.23

CAS

6931-54-0

Other Names

• «beta»-Pinene oxide
• Pinane, 2,10-epoxy-
• «beta»-Pinene epoxide
• 2,10-Epoxypinane
• «beta»-Pinene epoxide (Isomer)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.51	kJ/mol	Joback Calculated Property
logPoct/wat	2.212		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Inp	[1109.00; 1158.00]
Inp	1143.00		NIST
Inp	1119.00		NIST
Inp	1157.00		NIST
Inp	1156.00		NIST
Inp	1158.00		NIST
Inp	1127.00		NIST
Inp	Outlier 1109.00		NIST
Inp	1156.00		NIST
Inp	1146.00		NIST
Inp	1146.00		NIST
Inp	1157.00		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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.06; 515.29]	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			-2.33650e+02
Coefficient B			1.96084e+00
Coefficient C			-2.17670e-03
Coefficient D			9.64800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.06	J/mol×K	273.00	Calculated Property
Cp,gas	230.34	J/mol×K	353.78	Calculated Property
Cp,gas	286.57	J/mol×K	434.56	Calculated Property
Cp,gas	330.81	J/mol×K	515.33	Calculated Property
Cp,gas	366.11	J/mol×K	596.11	Calculated Property
Cp,gas	395.52	J/mol×K	676.89	Calculated Property
Cp,gas	422.09	J/mol×K	757.67	Calculated Property
Cp,gas	448.88	J/mol×K	838.44	Calculated Property
Cp,gas	478.93	J/mol×K	919.22	Calculated Property
Cp,gas	515.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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