Chemical Properties of Castasterone

InChI

InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17?,18+,19?,20?,21+,23-,24+,25+,26+,27+,28+/m1/s1

InChI Key

VYUIKSFYFRVQLF-LXNWJPRTSA-N

Formula

C28H48O5

SMILES

CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C

Molecular Weight¹

464.68

• 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°	-364.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1205.09	kJ/mol	Joback Calculated Property
ΔfusH°	41.32	kJ/mol	Joback Calculated Property
ΔvapH°	143.61	kJ/mol	Joback Calculated Property
log10WS	-5.49		Crippen Calculated Property
logPoct/wat	3.806		Crippen Calculated Property
McVol	386.990	ml/mol	McGowan Calculated Property
Pc	1194.82	kPa	Joback Calculated Property
Inp	[3630.00; 3630.00]
Inp	3630.00		NIST
Inp	3630.00		NIST
Tboil	1299.82	K	Joback Calculated Property
Tc	1651.65	K	Joback Calculated Property
Tfus	722.58	K	Joback Calculated Property
Vc	1.435	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1798.92; 2341.09]	J/mol×K	[1299.82; 1651.65]
Cp,gas	1798.92	J/mol×K	1299.82	Joback Calculated Property
Cp,gas	1867.66	J/mol×K	1358.46	Joback Calculated Property
Cp,gas	1943.52	J/mol×K	1417.10	Joback Calculated Property
Cp,gas	2027.64	J/mol×K	1475.74	Joback Calculated Property
Cp,gas	2121.18	J/mol×K	1534.38	Joback Calculated Property
Cp,gas	2225.28	J/mol×K	1593.01	Joback Calculated Property
Cp,gas	2341.09	J/mol×K	1651.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Castasterone.

Sources

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

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