Chemical Properties of (1«alpha»,3«alpha»,5«alpha»,7«alpha»)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane (CAS 35671-18-2)

InChI

InChI=1S/C12H20O/c1-9(2)11(4)6-8-10(3,13-8)7-12(9,11)5/h8H,6-7H2,1-5H3/t8-,10+,11-,12+/m1/s1

InChI Key

ZDZDFGKYHPOEMW-KLHWPWHYSA-N

Formula

C10H16O

SMILES

CC12CC3(C)C(C)(C)C3(C)CC1O2

Molecular Weight¹

152.23

CAS

35671-18-2

Other Names

• 4-Oxatricyclo[5.1.0.0(3,5)-]octane, 3,8,8-trimethyl-, (1«alpha»,3«alpha»,5«alpha»,7«alpha»)-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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
ΔcH°liquid	[-6073.70; -6073.70]	kJ/mol
ΔcH°liquid	-6073.70 ± 1.60	kJ/mol	NIST
ΔcH°liquid	-6073.70 ± 1.60	kJ/mol	NIST
ΔfG°	121.01	kJ/mol	Joback Calculated Property
ΔfH°gas	[-98.00; -98.00]	kJ/mol
ΔfH°gas	-98.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-98.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	[-148.10; -148.10]	kJ/mol
ΔfH°liquid	-148.10 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-148.10 ± 1.70	kJ/mol	NIST
ΔfusH°	8.27	kJ/mol	Joback Calculated Property
ΔvapH°	[50.00; 50.10]	kJ/mol
ΔvapH°	50.00 ± 2.00	kJ/mol	NIST
ΔvapH°	50.10	kJ/mol	NIST
ΔvapH°	50.00 ± 2.00	kJ/mol	NIST
log10WS	-3.12		Crippen Calculated Property
logPoct/wat	2.990		Crippen Calculated Property
McVol	153.230	ml/mol	McGowan Calculated Property
Pc	2770.08	kPa	Joback Calculated Property
Tboil	508.48	K	Joback Calculated Property
Tc	734.74	K	Joback Calculated Property
Tfus	396.03	K	Joback Calculated Property
Vc	0.598	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.10; 497.69]	J/mol×K	[508.48; 734.74]
Cp,gas	402.10	J/mol×K	508.48	Joback Calculated Property
Cp,gas	421.61	J/mol×K	546.19	Joback Calculated Property
Cp,gas	439.01	J/mol×K	583.90	Joback Calculated Property
Cp,gas	454.80	J/mol×K	621.61	Joback Calculated Property
Cp,gas	469.51	J/mol×K	659.32	Joback Calculated Property
Cp,gas	483.63	J/mol×K	697.03	Joback Calculated Property
Cp,gas	497.69	J/mol×K	734.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1«alpha»,3«alpha»,5«alpha»,7«alpha»)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane.

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.