Chemical Properties of 1-((1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl)ethanone (CAS 1911-78-0)

InChI

InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1

InChI Key

WLXJHVQYKOJBBN-NJVJYBDUSA-N

Formula

C15H26O2

SMILES

CC(=O)C1CCC2C1C(C(C)C)CCC2(C)O

Molecular Weight¹

238.37

CAS

1911-78-0

Other Names

• Oplopanone
• (-)-Oplopanone
• Oplopanon
• Ethanone, 1-[(1S,3aR,4R,7S,7aS)-octahydro-4-hydroxy-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]-
• 10-Hydroxyoplopanone

• 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_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°	-136.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.68	kJ/mol	Joback Calculated Property
ΔfusH°	23.65	kJ/mol	Joback Calculated Property
ΔvapH°	70.28	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	3.035		Crippen Calculated Property
McVol	207.930	ml/mol	McGowan Calculated Property
Pc	2040.07	kPa	Joback Calculated Property
Inp	[1695.00; 1752.00]
Inp	1702.00		NIST
Inp	1700.00		NIST
Inp	1734.00		NIST
Inp	1700.00		NIST
Inp	1700.00		NIST
Inp	1731.00		NIST
Inp	1707.00		NIST
Inp	1703.00		NIST
Inp	1745.30		NIST
Inp	1737.00		NIST
Inp	1705.00		NIST
Inp	1732.00		NIST
Inp	1752.00		NIST
Inp	1703.00		NIST
Inp	1740.00		NIST
Inp	1735.00		NIST
Inp	1711.00		NIST
Inp	1715.00		NIST
Inp	1716.00		NIST
Inp	1718.00		NIST
Inp	1730.00		NIST
Inp	1735.00		NIST
Inp	1735.00		NIST
Inp	1735.00		NIST
Inp	1695.00		NIST
Inp	1696.00		NIST
Inp	1712.00		NIST
I	2545.00		NIST
Tboil	700.73	K	Joback Calculated Property
Tc	904.23	K	Joback Calculated Property
Tfus	391.06	K	Joback Calculated Property
Vc	0.779	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[646.37; 750.32]	J/mol×K	[700.73; 904.23]
Cp,gas	646.37	J/mol×K	700.73	Joback Calculated Property
Cp,gas	665.58	J/mol×K	734.65	Joback Calculated Property
Cp,gas	683.89	J/mol×K	768.56	Joback Calculated Property
Cp,gas	701.40	J/mol×K	802.48	Joback Calculated Property
Cp,gas	718.23	J/mol×K	836.40	Joback Calculated Property
Cp,gas	734.50	J/mol×K	870.31	Joback Calculated Property
Cp,gas	750.32	J/mol×K	904.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-((1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl)ethanone.

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.