Chemical Properties of [1R,3S,6R]-1,3,7,7-Tetramethyl-2-oxabicyclo[4,4,0]dec-9-ene

InChI

InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11?,13-/m0/s1

InChI Key

IVTQSEFLDHBCDZ-BJEKPXQXSA-N

Formula

C13H22O

SMILES

CC1CCC2C(C)(C)CC=CC2(C)O1

Molecular Weight¹

194.31

• 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_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°	49.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-275.11	kJ/mol	Joback Calculated Property
ΔfusH°	16.04	kJ/mol	Joback Calculated Property
ΔvapH°	46.93	kJ/mol	Joback Calculated Property
log10WS	-3.73		Crippen Calculated Property
logPoct/wat	3.546		Crippen Calculated Property
McVol	173.880	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
Inp	[1288.10; 1294.90]
Inp	1288.10		NIST
Inp	1292.40		NIST
Inp	1294.90		NIST
Tboil	544.65	K	Joback Calculated Property
Tc	774.56	K	Joback Calculated Property
Tfus	324.72	K	Joback Calculated Property
Vc	0.646	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.15; 568.71]	J/mol×K	[544.65; 774.56]
Cp,gas	451.15	J/mol×K	544.65	Joback Calculated Property
Cp,gas	473.87	J/mol×K	582.97	Joback Calculated Property
Cp,gas	494.99	J/mol×K	621.29	Joback Calculated Property
Cp,gas	514.78	J/mol×K	659.61	Joback Calculated Property
Cp,gas	533.50	J/mol×K	697.93	Joback Calculated Property
Cp,gas	551.39	J/mol×K	736.24	Joback Calculated Property
Cp,gas	568.71	J/mol×K	774.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1R,3S,6R]-1,3,7,7-Tetramethyl-2-oxabicyclo[4,4,0]dec-9-ene.

Sources

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

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