Chemical Properties of Shisool

InChI

InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h9-11H,1,3-7H2,2H3/t9-,10?

InChI Key

GMYHXOPIKMGWOM-OKXAEBFBSA-N

Formula

C10H18O

SMILES

C=C(C)C1CCC(CO)CC1

Molecular Weight¹

154.25

• 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	0.5352		Relay (1.0) Calculated Property
ΔfG°	-7.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-238.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.06	kJ/mol	Joback Calculated Property
ΔvapH°	74.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-2.51		Relay (1.0) Calculated Property
logPoct/wat	2.361		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[1248.00; 1248.00]
Inp	1248.00		NIST
Inp	1248.00		NIST
Inp	1248.00		NIST
Tboil	512.19	K	Relay (1.0) Calculated Property
Tc	717.47	K	Relay (1.0) Calculated Property
Tfus	304.59	K	Relay (1.0) Calculated Property
Vc	0.477	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.92; 436.46]	J/mol×K	[531.82; 724.69]
Cp,gas	349.92	J/mol×K	531.82	Joback Calculated Property
Cp,gas	366.34	J/mol×K	563.96	Joback Calculated Property
Cp,gas	381.93	J/mol×K	596.11	Joback Calculated Property
Cp,gas	396.71	J/mol×K	628.25	Joback Calculated Property
Cp,gas	410.71	J/mol×K	660.40	Joback Calculated Property
Cp,gas	423.96	J/mol×K	692.54	Joback Calculated Property
Cp,gas	436.46	J/mol×K	724.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Shisool.

Sources

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

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