Chemical Properties of 3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl- (CAS 1686-14-2)

InChI

InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3

InChI Key

NQFUSWIGRKFAHK-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1(C)C2CC3OC3(C)C1C2

Molecular Weight¹

152.23

CAS

1686-14-2

Other Names

• 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane
• Pinane, 2,3-epoxy-
• «alpha»-Pinene epoxide
• «alpha»-Pinene oxide
• 2,3-Epoxypinane
• «alpha»-Pinene 2,3-oxide
• «alpha»-Pinene epoxide (Isomer 1)
• «alpha»-Pinene epoxide (Isomer 2)
• «alpha»-Pinene oxyde
• 3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl-

• 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.
• I : 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°	115.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.37	kJ/mol	Joback Calculated Property
ΔfusH°	15.69	kJ/mol	Joback Calculated Property
ΔvapH°	53.60	kJ/mol	NIST
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	2.210		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Pc	3093.29	kPa	Joback Calculated Property
Inp	[1060.00; 1110.00]
Inp	1095.00		NIST
Inp	Outlier 1060.00		NIST
Inp	1096.00		NIST
Inp	1093.00		NIST
Inp	1094.00		NIST
Inp	1095.00		NIST
Inp	Outlier 1071.00		NIST
Inp	1095.00		NIST
Inp	1095.00		NIST
Inp	1095.00		NIST
Inp	1096.00		NIST
Inp	1103.00		NIST
Inp	1085.00		NIST
Inp	1095.00		NIST
Inp	1095.00		NIST
Inp	1103.00		NIST
Inp	1093.00		NIST
Inp	1085.00		NIST
Inp	1082.00		NIST
Inp	Outlier 1060.00		NIST
Inp	1090.00		NIST
Inp	1075.00		NIST
Inp	1093.00		NIST
Inp	1078.00		NIST
Inp	1086.00		NIST
Inp	1090.00		NIST
Inp	1105.00		NIST
Inp	1095.00		NIST
Inp	1099.00		NIST
Inp	1100.00		NIST
Inp	1099.00		NIST
Inp	1105.00		NIST
Inp	1094.00		NIST
Inp	1091.00		NIST
Inp	1100.00		NIST
Inp	1106.00		NIST
Inp	1100.00		NIST
Inp	Outlier 1065.00		NIST
Inp	1095.00		NIST
Inp	1095.00		NIST
Inp	1095.00		NIST
Inp	1097.00		NIST
Inp	1099.00		NIST
Inp	1110.00		NIST
Inp	1099.00		NIST
Inp	1095.00		NIST
Inp	1095.00		NIST
Inp	1087.00		NIST
Inp	1100.00		NIST
Inp	1087.00		NIST
Inp	1100.00		NIST
Inp	1085.00		NIST
I	[1345.00; 1384.00]
I	1384.00		NIST
I	1384.00		NIST
I	1384.00		NIST
I	Outlier 1345.00		NIST
I	1384.00		NIST
I	1353.00		NIST
I	1384.00		NIST
I	1384.00		NIST
I	1384.00		NIST
I	1384.00		NIST
I	1384.00		NIST
I	1384.00		NIST
Tboil	462.24	K	Joback Calculated Property
Tc	676.49	K	Joback Calculated Property
Tfus	325.69	K	Joback Calculated Property
Vc	0.489	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.28; 399.67]	J/mol×K	[462.24; 676.49]
Cp,gas	308.28	J/mol×K	462.24	Joback Calculated Property
Cp,gas	327.25	J/mol×K	497.95	Joback Calculated Property
Cp,gas	344.37	J/mol×K	533.66	Joback Calculated Property
Cp,gas	359.91	J/mol×K	569.37	Joback Calculated Property
Cp,gas	374.13	J/mol×K	605.08	Joback Calculated Property
Cp,gas	387.30	J/mol×K	640.78	Joback Calculated Property
Cp,gas	399.67	J/mol×K	676.49	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.