Chemical Properties of Oligandrol (CAS 155661-15-7)

InChI

InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-15-20(23)14-18(4)21(19)24-22/h8,10,14-15,23H,6-7,9,11-13H2,1-5H3/b17-10+

InChI Key

OJZATKPMGAGZGS-LICLKQGHSA-N

Formula

C22H32O2

SMILES

CC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)cc(C)c2O1

Molecular Weight¹

328.49

CAS

155661-15-7

• 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	0.7747		Relay (1.0) Calculated Property
ΔfG°	173.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.28	kJ/mol	Joback Calculated Property
ΔvapH°	116.72	kJ/mol	Relay (1.0) Calculated Property
IE	7.44	eV	Relay (1.0) Calculated Property
log10WS	-5.58		Relay (1.0) Calculated Property
logPoct/wat	6.257		Crippen Calculated Property
McVol	289.360	ml/mol	McGowan Calculated Property
Pc	1508.15	kPa	Joback Calculated Property
Inp	[2710.30; 2710.30]
Inp	2710.30		NIST
Inp	2710.30		NIST
Tboil	653.99	K	Relay (1.0) Calculated Property
Tc	898.79	K	Relay (1.0) Calculated Property
Tfus	364.93	K	Relay (1.0) Calculated Property
Vc	1.019	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[922.89; 1056.35]	J/mol×K	[866.30; 1092.99]
Cp,gas	922.89	J/mol×K	866.30	Joback Calculated Property
Cp,gas	944.09	J/mol×K	904.08	Joback Calculated Property
Cp,gas	965.35	J/mol×K	941.86	Joback Calculated Property
Cp,gas	986.94	J/mol×K	979.65	Joback Calculated Property
Cp,gas	1009.13	J/mol×K	1017.43	Joback Calculated Property
Cp,gas	1032.18	J/mol×K	1055.21	Joback Calculated Property
Cp,gas	1056.35	J/mol×K	1092.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oligandrol.

Sources

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

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