Chemical Properties of Axillaridine

InChI

InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19?,21-,22+,23-,24-,25-,29+,30+/m1/s1

InChI Key

ZMAOKPMWBVUQPK-NMWVCJJNSA-N

Formula

C30H42N2O2

SMILES

CC(C1CCC2C3CCC4C(=O)C(NC(=O)c5ccccc5)=CCC4(C)C3CCC21C)N(C)C

Molecular Weight¹

462.67

• 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	0.7547		Relay (... Calculated Property
ΔfG°	429.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-305.11	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.69	kJ/mol	Joback Calculated Property
ΔvapH°	141.30	kJ/mol	Relay (... Calculated Property
IE	7.89	eV	Relay (... Calculated Property
log10WS	-5.64		Relay (... Calculated Property
logPoct/wat	5.698		Crippen Calculated Property
McVol	385.160	ml/mol	McGowan Calculated Property
Pc	1116.31	kPa	Joback Calculated Property
Inp	[2403.00; 2418.00]
Inp	2403.00		NIST
Inp	2416.00		NIST
Inp	2418.00		NIST
Tboil	748.05	K	Relay (... Calculated Property
Tc	1108.45	K	Relay (... Calculated Property
Tfus	486.62	K	Relay (... Calculated Property
Vc	1.347	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1554.97; 1844.46]	J/mol×K	[1135.26; 1397.24]
Cp,gas	1554.97	J/mol×K	1135.26	Joback Calculated Property
Cp,gas	1595.28	J/mol×K	1178.92	Joback Calculated Property
Cp,gas	1638.08	J/mol×K	1222.59	Joback Calculated Property
Cp,gas	1683.88	J/mol×K	1266.25	Joback Calculated Property
Cp,gas	1733.20	J/mol×K	1309.91	Joback Calculated Property
Cp,gas	1786.56	J/mol×K	1353.58	Joback Calculated Property
Cp,gas	1844.46	J/mol×K	1397.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Axillaridine.

Sources

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

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