Chemical Properties of ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol (CAS 24563-94-8)

InChI

InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3

InChI Key

GQRUHVMVWNKUFW-UHFFFAOYSA-N

Formula

C20H32O

SMILES

CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1

Molecular Weight¹

288.47

CAS

24563-94-8

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5890		Relay (1.0) Calculated Property
ΔfG°	121.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-291.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.17	kJ/mol	Joback Calculated Property
ΔvapH°	111.71	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-5.30		Relay (1.0) Calculated Property
logPoct/wat	5.114		Crippen Calculated Property
McVol	257.350	ml/mol	McGowan Calculated Property
Pc	1701.90	kPa	Joback Calculated Property
Inp	[2340.00; 2374.90]
Inp	2340.00		NIST
Inp	2374.90		NIST
Inp	2374.90		NIST
Tboil	619.53	K	Relay (1.0) Calculated Property
Tc	881.11	K	Relay (1.0) Calculated Property
Tfus	402.42	K	Relay (1.0) Calculated Property
Vc	0.888	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.75; 979.16]	J/mol×K	[794.40; 1012.23]
Cp,gas	843.75	J/mol×K	794.40	Joback Calculated Property
Cp,gas	866.15	J/mol×K	830.71	Joback Calculated Property
Cp,gas	888.26	J/mol×K	867.01	Joback Calculated Property
Cp,gas	910.36	J/mol×K	903.32	Joback Calculated Property
Cp,gas	932.70	J/mol×K	939.62	Joback Calculated Property
Cp,gas	955.55	J/mol×K	975.93	Joback Calculated Property
Cp,gas	979.16	J/mol×K	1012.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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