Chemical Properties of ((1R,4aR,4bS,7R,10aR)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methanol (CAS 24563-84-6)

InChI

InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3

InChI Key

JEOZUAHPKAVXSF-UHFFFAOYSA-N

Formula

C20H32O

SMILES

C=CC1(C)C=C2CCC3C(C)(CO)CCCC3(C)C2CC1

Molecular Weight¹

288.47

CAS

24563-84-6

• 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	0.5579		Relay (1.0) Calculated Property
ΔfG°	178.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.35	kJ/mol	Joback Calculated Property
ΔvapH°	109.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-5.38		Relay (1.0) Calculated Property
logPoct/wat	5.114		Crippen Calculated Property
McVol	257.350	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[2270.00; 2288.30]
Inp	2288.30		NIST
Inp	2270.00		NIST
Tboil	631.37	K	Relay (1.0) Calculated Property
Tc	885.15	K	Relay (1.0) Calculated Property
Tfus	373.40	K	Relay (1.0) Calculated Property
Vc	0.879	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[841.59; 993.99]	J/mol×K	[782.95; 1004.60]
Cp,gas	841.59	J/mol×K	782.95	Joback Calculated Property
Cp,gas	865.45	J/mol×K	819.89	Joback Calculated Property
Cp,gas	889.43	J/mol×K	856.83	Joback Calculated Property
Cp,gas	913.91	J/mol×K	893.78	Joback Calculated Property
Cp,gas	939.25	J/mol×K	930.72	Joback Calculated Property
Cp,gas	965.82	J/mol×K	967.66	Joback Calculated Property
Cp,gas	993.99	J/mol×K	1004.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to ((1R,4aR,4bS,7R,10aR)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methanol.

Sources

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

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