Chemical Properties of (+)-(1S,3aR,7S,7aR)-2,3,3a,4,5,6,7,7a-Octahydro-7,7a-dimethyl-1-(2-methylpropanonyl)-1H-indene

InChI

InChI=1S/C15H26O/c1-10(2)14(16)13-9-8-12-7-5-6-11(3)15(12,13)4/h10-13H,5-9H2,1-4H3/t11-,12+,13+,15-/m1/s1

InChI Key

VLBHRLBDSSUVAV-UKTARXLSSA-N

Formula

C15H26O

SMILES

CC(C)C(=O)C1CCC2CCCC(C)C21C

Molecular Weight¹

222.37

• 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°	8.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.11	kJ/mol	Joback Calculated Property
ΔfusH°	18.50	kJ/mol	Joback Calculated Property
ΔvapH°	53.91	kJ/mol	Joback Calculated Property
log10WS	-3.96		Crippen Calculated Property
logPoct/wat	4.064		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	1935.54	kPa	Joback Calculated Property
Inp	[1601.00; 1601.00]
Inp	1601.00		NIST
Inp	1601.00		NIST
Tboil	613.22	K	Joback Calculated Property
Tc	831.03	K	Joback Calculated Property
Tfus	334.48	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.80; 691.44]	J/mol×K	[613.22; 831.03]
Cp,gas	570.80	J/mol×K	613.22	Joback Calculated Property
Cp,gas	593.78	J/mol×K	649.52	Joback Calculated Property
Cp,gas	615.41	J/mol×K	685.82	Joback Calculated Property
Cp,gas	635.85	J/mol×K	722.13	Joback Calculated Property
Cp,gas	655.24	J/mol×K	758.43	Joback Calculated Property
Cp,gas	673.72	J/mol×K	794.73	Joback Calculated Property
Cp,gas	691.44	J/mol×K	831.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-(1S,3aR,7S,7aR)-2,3,3a,4,5,6,7,7a-Octahydro-7,7a-dimethyl-1-(2-methylpropanonyl)-1H-indene.

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.