Chemical Properties of ent-Trachyloban-3 «beta»-ol

InChI

InChI=1S/C20H32O/c1-17(2)14-5-8-20-10-13-12(19(13,4)11-20)9-15(20)18(14,3)7-6-16(17)21/h12-16,21H,5-11H2,1-4H3/t12-,13?,14?,15?,16+,18+,19-,20?/m0/s1

InChI Key

JHYUVBXKRVZLON-SAZHDMPUSA-N

Formula

C20H32O

SMILES

CC1(C)C(O)CCC2(C)C3CC4C5CC3(CCC12)CC45C

Molecular Weight¹

288.47

• 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°	219.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-270.92	kJ/mol	Joback Calculated Property
ΔfusH°	19.31	kJ/mol	Joback Calculated Property
ΔvapH°	70.69	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.636		Crippen Calculated Property
McVol	244.230	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[2242.00; 2242.00]
Inp	2242.00		NIST
Inp	2242.00		NIST
Tboil	769.43	K	Joback Calculated Property
Tc	992.67	K	Joback Calculated Property
Tfus	540.80	K	Joback Calculated Property
Vc	0.940	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[847.99; 1019.16]	J/mol×K	[769.43; 992.67]
Cp,gas	847.99	J/mol×K	769.43	Joback Calculated Property
Cp,gas	872.92	J/mol×K	806.64	Joback Calculated Property
Cp,gas	898.55	J/mol×K	843.84	Joback Calculated Property
Cp,gas	925.44	J/mol×K	881.05	Joback Calculated Property
Cp,gas	954.14	J/mol×K	918.26	Joback Calculated Property
Cp,gas	985.19	J/mol×K	955.47	Joback Calculated Property
Cp,gas	1019.16	J/mol×K	992.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to ent-Trachyloban-3 «beta»-ol.

Sources

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

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