Chemical Properties of (3R,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one

InChI

InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9-/m0/s1

InChI Key

FGDINYRLQOKVQS-JBDRJPRFSA-N

Formula

C10H16O2

SMILES

CC1CCC2C(C1)OC(=O)C2C

Molecular Weight¹

168.23

• 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 : 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°	-105.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.99	kJ/mol	Joback Calculated Property
ΔfusH°	21.26	kJ/mol	Joback Calculated Property
ΔvapH°	46.34	kJ/mol	Joback Calculated Property
log10WS	-2.05		Crippen Calculated Property
logPoct/wat	1.984		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Pc	2820.33	kPa	Joback Calculated Property
I	[2146.00; 2146.00]
I	2146.00		NIST
I	2146.00		NIST
Tboil	539.92	K	Joback Calculated Property
Tc	767.98	K	Joback Calculated Property
Tfus	314.09	K	Joback Calculated Property
Vc	0.511	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[358.98; 464.00]	J/mol×K	[539.92; 767.98]
Cp,gas	358.98	J/mol×K	539.92	Joback Calculated Property
Cp,gas	379.23	J/mol×K	577.93	Joback Calculated Property
Cp,gas	398.36	J/mol×K	615.94	Joback Calculated Property
Cp,gas	416.39	J/mol×K	653.95	Joback Calculated Property
Cp,gas	433.33	J/mol×K	691.96	Joback Calculated Property
Cp,gas	449.20	J/mol×K	729.97	Joback Calculated Property
Cp,gas	464.00	J/mol×K	767.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3R,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one.

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.