Chemical Properties of taraxastane

InChI

InChI=1S/C30H50/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22?,23?,24?,25?,27-,28+,29-,30-/m0/s1

InChI Key

XJQCFWLHTAYWAT-DAHABVLQSA-N

Formula

C30H50

SMILES

C=C1CCC2(C)CCC3(C)C(CCC4C5(C)CCCC(C)(C)C5CCC43C)C2C1C

Molecular Weight¹

410.72

• 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°	407.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-282.91	kJ/mol	Joback Calculated Property
ΔfusH°	22.14	kJ/mol	Joback Calculated Property
ΔvapH°	76.00	kJ/mol	Joback Calculated Property
log10WS	-9.29		Crippen Calculated Property
logPoct/wat	9.054		Crippen Calculated Property
McVol	374.960	ml/mol	McGowan Calculated Property
Pc	980.23	kPa	Joback Calculated Property
Inp	[3177.00; 3177.00]
Inp	3177.00		NIST
Inp	3177.00		NIST
Tboil	926.40	K	Joback Calculated Property
Tc	1173.87	K	Joback Calculated Property
Tfus	604.90	K	Joback Calculated Property
Vc	1.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1429.59; 1780.13]	J/mol×K	[926.40; 1173.87]
Cp,gas	1429.59	J/mol×K	926.40	Joback Calculated Property
Cp,gas	1476.85	J/mol×K	967.65	Joback Calculated Property
Cp,gas	1527.47	J/mol×K	1008.89	Joback Calculated Property
Cp,gas	1582.29	J/mol×K	1050.14	Joback Calculated Property
Cp,gas	1642.12	J/mol×K	1091.38	Joback Calculated Property
Cp,gas	1707.79	J/mol×K	1132.63	Joback Calculated Property
Cp,gas	1780.13	J/mol×K	1173.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to taraxastane.

Sources

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

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