Chemical Properties of Nicolaioidesin C (CAS 475579-27-2)

InChI

InChI=1S/C26H30O4/c1-17(2)8-7-9-18-12-13-21(22(14-18)19-10-5-4-6-11-19)26(29)25-23(27)15-20(30-3)16-24(25)28/h4-6,8,10-12,15-16,21-22,27-28H,7,9,13-14H2,1-3H3

InChI Key

VJYZXZFPGQYBKT-UHFFFAOYSA-N

Formula

C26H30O4

SMILES

COc1cc(O)c(C(=O)C2CC=C(CCC=C(C)C)CC2c2ccccc2)c(O)c1

Molecular Weight¹

406.51

CAS

475579-27-2

• 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	0.9175		Relay (1.0) Calculated Property
ΔfG°	-51.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-460.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.77	kJ/mol	Joback Calculated Property
ΔvapH°	143.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.58	eV	Relay (1.0) Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	6.156		Crippen Calculated Property
McVol	329.400	ml/mol	McGowan Calculated Property
Pc	1635.13	kPa	Joback Calculated Property
Inp	[3225.30; 3225.30]
Inp	3225.30		NIST
Inp	3225.30		NIST
Tboil	708.99	K	Relay (1.0) Calculated Property
Tc	1038.41	K	Relay (1.0) Calculated Property
Tfus	400.44	K	Relay (1.0) Calculated Property
Vc	1.111	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1152.44; 1280.92]	J/mol×K	[1113.21; 1373.43]
Cp,gas	1152.44	J/mol×K	1113.21	Joback Calculated Property
Cp,gas	1172.41	J/mol×K	1156.58	Joback Calculated Property
Cp,gas	1192.60	J/mol×K	1199.95	Joback Calculated Property
Cp,gas	1213.29	J/mol×K	1243.32	Joback Calculated Property
Cp,gas	1234.73	J/mol×K	1286.69	Joback Calculated Property
Cp,gas	1257.18	J/mol×K	1330.06	Joback Calculated Property
Cp,gas	1280.92	J/mol×K	1373.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nicolaioidesin C.

Sources

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

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