Chemical Properties of (Z)-Cyclanthone

InChI

InChI=1S/C11H18O/c1-5-6-10(4)8-11(12)7-9(2)3/h5-6,9H,1,7-8H2,2-4H3/b10-6-

InChI Key

MLXAHHZSXNMVJF-POHAHGRESA-N

Formula

C11H18O

SMILES

C=CC=C(C)CC(=O)CC(C)C

Molecular Weight¹

166.26

• 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	0.4154		Relay (... Calculated Property
ΔfG°	69.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-214.51	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.93	kJ/mol	Joback Calculated Property
ΔvapH°	51.44	kJ/mol	Relay (... Calculated Property
IE	8.27	eV	Relay (... Calculated Property
log10WS	-2.87		Relay (... Calculated Property
logPoct/wat	3.124		Crippen Calculated Property
McVol	158.820	ml/mol	McGowan Calculated Property
Pc	2258.96	kPa	Joback Calculated Property
Inp	[1170.00; 1170.00]
Inp	1170.00		NIST
Inp	1170.00		NIST
Tboil	469.57	K	Relay (... Calculated Property
Tc	659.09	K	Relay (... Calculated Property
Tfus	295.80	K	Relay (... Calculated Property
Vc	0.543	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.66; 431.75]	J/mol×K	[505.23; 694.68]
Cp,gas	352.66	J/mol×K	505.23	Joback Calculated Property
Cp,gas	367.64	J/mol×K	536.80	Joback Calculated Property
Cp,gas	381.86	J/mol×K	568.38	Joback Calculated Property
Cp,gas	395.34	J/mol×K	599.95	Joback Calculated Property
Cp,gas	408.13	J/mol×K	631.53	Joback Calculated Property
Cp,gas	420.25	J/mol×K	663.10	Joback Calculated Property
Cp,gas	431.75	J/mol×K	694.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Cyclanthone.

Sources

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

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