Chemical Properties of Sinenofuranol

InChI

InChI=1S/C14H24O2/c1-13(2)11-5-3-4-10-6-7-12(9-15)14(10,8-11)16-13/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-,14-/m1/s1

InChI Key

YNRKDVOAXYELOW-JAGFSTOYSA-N

Formula

C14H24O2

SMILES

CC1(C)OC23CC1CCCC2CCC3CO

Molecular Weight¹

224.34

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5728		Relay (1.0) Calculated Property
ΔfG°	-36.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-443.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.73	kJ/mol	Joback Calculated Property
ΔvapH°	89.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-2.48		Relay (1.0) Calculated Property
logPoct/wat	2.743		Crippen Calculated Property
McVol	187.280	ml/mol	McGowan Calculated Property
Pc	2525.19	kPa	Joback Calculated Property
Inp	[1776.00; 1776.00]
Inp	1776.00		NIST
Inp	1776.00		NIST
Inp	1776.00		NIST
Tboil	584.78	K	Relay (1.0) Calculated Property
Tc	835.27	K	Relay (1.0) Calculated Property
Tfus	383.27	K	Relay (1.0) Calculated Property
Vc	0.679	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.71; 687.54]	J/mol×K	[663.02; 876.96]
Cp,gas	579.71	J/mol×K	663.02	Joback Calculated Property
Cp,gas	598.99	J/mol×K	698.68	Joback Calculated Property
Cp,gas	617.42	J/mol×K	734.33	Joback Calculated Property
Cp,gas	635.24	J/mol×K	769.99	Joback Calculated Property
Cp,gas	652.70	J/mol×K	805.65	Joback Calculated Property
Cp,gas	670.05	J/mol×K	841.30	Joback Calculated Property
Cp,gas	687.54	J/mol×K	876.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sinenofuranol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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