Chemical Properties of (1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde (CAS 103654-28-0)

InChI

InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12-14,17-18H,5,7-11H2,1-4H3

InChI Key

QAOPEXQKBQUUSQ-UHFFFAOYSA-N

Formula

C20H30O

SMILES

CC(C)C1=CCC2C(=C1)CCC1C(C)(C=O)CCCC21C

Molecular Weight¹

286.45

CAS

103654-28-0

Other Names

• Levopimaral
• Levopimarinal

• 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	0.4248		Relay (... Calculated Property
ΔfG°	159.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.05	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.37	kJ/mol	Joback Calculated Property
ΔvapH°	87.51	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-5.61		Relay (... Calculated Property
logPoct/wat	5.321		Crippen Calculated Property
McVol	253.050	ml/mol	McGowan Calculated Property
Pc	1676.91	kPa	Joback Calculated Property
Inp	[2265.40; 2265.40]
Inp	2265.40		NIST
Inp	2265.40		NIST
Tboil	609.98	K	Relay (... Calculated Property
Tc	877.12	K	Relay (... Calculated Property
Tfus	349.36	K	Relay (... Calculated Property
Vc	0.866	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.64; 933.99]	J/mol×K	[750.88; 985.34]
Cp,gas	793.64	J/mol×K	750.88	Joback Calculated Property
Cp,gas	817.55	J/mol×K	789.96	Joback Calculated Property
Cp,gas	840.83	J/mol×K	829.03	Joback Calculated Property
Cp,gas	863.79	J/mol×K	868.11	Joback Calculated Property
Cp,gas	886.76	J/mol×K	907.19	Joback Calculated Property
Cp,gas	910.05	J/mol×K	946.26	Joback Calculated Property
Cp,gas	933.99	J/mol×K	985.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde.

Sources

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

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