Chemical Properties of Solasodiene (CAS 3669-17-8)

InChI

InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3

InChI Key

OYNIUJOJEWHJPN-UHFFFAOYSA-N

Formula

C27H41NO

SMILES

CC1CCC2(NC1)OC1CC3C4CC=C5C=CCCC5(C)C4CCC3(C)C1C2C

Molecular Weight¹

395.62

CAS

3669-17-8

Other Names

• 3,5-Solasodiene
• 3,5-Solasodien, 3-dehydroxy-
• Solasodiene, 3-dehydroxy-
• 3,5-Solasodine, 3-dehydroxy-

• 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°	460.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-232.67	kJ/mol	Joback Calculated Property
ΔfusH°	44.81	kJ/mol	Joback Calculated Property
ΔvapH°	84.20	kJ/mol	Joback Calculated Property
log10WS	-7.26		Crippen Calculated Property
logPoct/wat	6.092		Crippen Calculated Property
McVol	333.380	ml/mol	McGowan Calculated Property
Pc	1294.86	kPa	Joback Calculated Property
Inp	[3151.00; 3151.00]
Inp	3151.00		NIST
Inp	3151.00		NIST
Tboil	948.33	K	Joback Calculated Property
Tc	1207.00	K	Joback Calculated Property
Tfus	677.43	K	Joback Calculated Property
Vc	1.254	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1289.40; 1571.54]	J/mol×K	[948.33; 1207.00]
Cp,gas	1289.40	J/mol×K	948.33	Joback Calculated Property
Cp,gas	1328.83	J/mol×K	991.44	Joback Calculated Property
Cp,gas	1370.39	J/mol×K	1034.55	Joback Calculated Property
Cp,gas	1414.76	J/mol×K	1077.67	Joback Calculated Property
Cp,gas	1462.61	J/mol×K	1120.78	Joback Calculated Property
Cp,gas	1514.65	J/mol×K	1163.89	Joback Calculated Property
Cp,gas	1571.54	J/mol×K	1207.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Solasodiene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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