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-

• 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	0.5037		Relay (... Calculated Property
ΔfG°	460.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-264.26	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.81	kJ/mol	Joback Calculated Property
ΔvapH°	124.29	kJ/mol	Relay (... Calculated Property
IE	7.21	eV	Relay (... Calculated Property
log10WS	-6.46		Relay (... 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	690.35	K	Relay (... Calculated Property
Tc	995.72	K	Relay (... Calculated Property
Tfus	480.58	K	Relay (... Calculated Property
Vc	1.236	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• 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.