Chemical Properties of 7«alpha»-hydroxymanool

InChI

InChI=1S/C20H34O2/c1-7-19(5,22)11-10-15-12-17(21)18(3,4)16-9-8-14(2)13-20(15,16)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16?,17-,19?,20-/m1/s1

InChI Key

QBGCJSNIPHJJCV-AZDWTMOSSA-N

Formula

C20H34O2

SMILES

C=CC(C)(O)CCC1CC(O)C(C)(C)C2CCC(=C)CC12C

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°	26.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.25	kJ/mol	Joback Calculated Property
ΔfusH°	24.37	kJ/mol	Joback Calculated Property
ΔvapH°	88.95	kJ/mol	Joback Calculated Property
log10WS	-5.48		Crippen Calculated Property
logPoct/wat	4.473		Crippen Calculated Property
McVol	274.080	ml/mol	McGowan Calculated Property
Pc	1570.96	kPa	Joback Calculated Property
Inp	[2235.00; 2235.00]
Inp	2235.00		NIST
Inp	2235.00		NIST
Tboil	851.00	K	Joback Calculated Property
Tc	1054.41	K	Joback Calculated Property
Tfus	508.02	K	Joback Calculated Property
Vc	1.022	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[936.83; 1067.56]	J/mol×K	[851.00; 1054.41]
Cp,gas	936.83	J/mol×K	851.00	Joback Calculated Property
Cp,gas	957.92	J/mol×K	884.90	Joback Calculated Property
Cp,gas	979.01	J/mol×K	918.80	Joback Calculated Property
Cp,gas	1000.30	J/mol×K	952.71	Joback Calculated Property
Cp,gas	1022.02	J/mol×K	986.61	Joback Calculated Property
Cp,gas	1044.37	J/mol×K	1020.51	Joback Calculated Property
Cp,gas	1067.56	J/mol×K	1054.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7«alpha»-hydroxymanool.

Sources

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

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