Chemical Properties of 3«beta»-hydroxy-manoyl oxide isomer

InChI

InChI=1S/C20H34O2/c1-7-18(4)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)22-18/h7,14-16,21H,1,8-13H2,2-6H3/t14?,15-,16+,18?,19+,20-/m0/s1

InChI Key

JJZSRKRSWWPWCJ-MUAWJZPLSA-N

Formula

C20H34O2

SMILES

C=CC1(C)CCC2C(C)(CCC3C(C)(C)C(O)CCC23C)O1

Molecular Weight¹

306.48

• 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°	51.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-447.73	kJ/mol	Joback Calculated Property
ΔfusH°	21.34	kJ/mol	Joback Calculated Property
ΔvapH°	75.39	kJ/mol	Joback Calculated Property
log10WS	-5.45		Crippen Calculated Property
logPoct/wat	4.714		Crippen Calculated Property
McVol	267.520	ml/mol	McGowan Calculated Property
Pc	1665.97	kPa	Joback Calculated Property
Inp	[2271.00; 2271.00]
Inp	2271.00		NIST
Inp	2271.00		NIST
Tboil	796.66	K	Joback Calculated Property
Tc	1020.68	K	Joback Calculated Property
Tfus	515.65	K	Joback Calculated Property
Vc	0.996	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[906.29; 1084.31]	J/mol×K	[796.66; 1020.68]
Cp,gas	906.29	J/mol×K	796.66	Joback Calculated Property
Cp,gas	932.72	J/mol×K	834.00	Joback Calculated Property
Cp,gas	959.84	J/mol×K	871.33	Joback Calculated Property
Cp,gas	988.09	J/mol×K	908.67	Joback Calculated Property
Cp,gas	1017.95	J/mol×K	946.01	Joback Calculated Property
Cp,gas	1049.87	J/mol×K	983.35	Joback Calculated Property
Cp,gas	1084.31	J/mol×K	1020.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3«beta»-hydroxy-manoyl oxide isomer.

Sources

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

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