Chemical Properties of Jaeschkeanadiol

InChI

InChI=1S/C15H26O2/c1-10(2)15(17)8-7-14(4)6-5-11(3)9-12(16)13(14)15/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13+,14-,15+/m1/s1

InChI Key

SUAPQGLGNKUSLY-BARDWOONSA-N

Formula

C15H26O2

SMILES

CC1=CCC2(C)CCC(O)(C(C)C)C2C(O)C1

Molecular Weight¹

238.37

• 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°	-133.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-505.60	kJ/mol	Joback Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	80.50	kJ/mol	Joback Calculated Property
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	2.891		Crippen Calculated Property
McVol	207.930	ml/mol	McGowan Calculated Property
Pc	2354.20	kPa	Joback Calculated Property
Inp	[1768.00; 1768.00]
Inp	1768.00		NIST
Inp	1768.00		NIST
Tboil	752.36	K	Joback Calculated Property
Tc	953.34	K	Joback Calculated Property
Tfus	439.85	K	Joback Calculated Property
Vc	0.769	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[662.47; 765.75]	J/mol×K	[752.36; 953.34]
Cp,gas	662.47	J/mol×K	752.36	Joback Calculated Property
Cp,gas	679.86	J/mol×K	785.86	Joback Calculated Property
Cp,gas	696.94	J/mol×K	819.35	Joback Calculated Property
Cp,gas	713.89	J/mol×K	852.85	Joback Calculated Property
Cp,gas	730.89	J/mol×K	886.35	Joback Calculated Property
Cp,gas	748.12	J/mol×K	919.84	Joback Calculated Property
Cp,gas	765.75	J/mol×K	953.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Jaeschkeanadiol.

Sources

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

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