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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	110.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-153.19	kJ/mol	Joback Calculated Property
ΔfusH°	12.51	kJ/mol	Joback Calculated Property
ΔvapH°	39.49	kJ/mol	Joback Calculated Property
log10WS	-2.17		Crippen Calculated Property
logPoct/wat	2.212		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Pc	3302.95	kPa	Joback 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
Tboil	471.18	K	Joback Calculated Property
Tc	694.29	K	Joback Calculated Property
Tfus	326.41	K	Joback Calculated Property
Vc	0.482	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.93; 401.38]	J/mol×K	[471.18; 694.29]
Cp,gas	307.93	J/mol×K	471.18	Joback Calculated Property
Cp,gas	327.39	J/mol×K	508.37	Joback Calculated Property
Cp,gas	344.90	J/mol×K	545.55	Joback Calculated Property
Cp,gas	360.76	J/mol×K	582.74	Joback Calculated Property
Cp,gas	375.26	J/mol×K	619.92	Joback Calculated Property
Cp,gas	388.70	J/mol×K	657.11	Joback Calculated Property
Cp,gas	401.38	J/mol×K	694.29	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

• 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.