Chemical Properties of Neocedranol

InChI

InChI=1S/C15H26O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12?,13?,15-/m0/s1

InChI Key

AEJKOZRRMKOBQS-UYNSMTERSA-N

Formula

C15H26O

SMILES

CC1C(O)CC23CC1C(C)(C)C2CCC3C

Molecular Weight¹

222.37

• 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°	54.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-349.96	kJ/mol	Joback Calculated Property
ΔfusH°	20.59	kJ/mol	Joback Calculated Property
ΔvapH°	62.21	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[1613.00; 1613.00]
Inp	1613.00		NIST
Inp	1613.00		NIST
Tboil	645.34	K	Joback Calculated Property
Tc	851.43	K	Joback Calculated Property
Tfus	397.25	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.58; 713.82]	J/mol×K	[645.34; 851.43]
Cp,gas	600.58	J/mol×K	645.34	Joback Calculated Property
Cp,gas	621.09	J/mol×K	679.69	Joback Calculated Property
Cp,gas	640.66	J/mol×K	714.04	Joback Calculated Property
Cp,gas	659.50	J/mol×K	748.38	Joback Calculated Property
Cp,gas	677.83	J/mol×K	782.73	Joback Calculated Property
Cp,gas	695.86	J/mol×K	817.08	Joback Calculated Property
Cp,gas	713.82	J/mol×K	851.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neocedranol.

Sources

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

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