Chemical Properties of Italicen-15-al (2,11-cycloacor-3-en-15-al)

InChI

InChI=1S/C15H22O/c1-10-6-7-15-11(9-16)4-5-12(15)14(2,3)13(15)8-10/h8-9,11-13H,4-7H2,1-3H3/t11-,12-,13-,15-/m0/s1

InChI Key

XKMOWTLNXQILQC-ABHRYQDASA-N

Formula

C15H22O

SMILES

CC1=CC2C(C)(C)C3CCC(C=O)C23CC1

Molecular Weight¹

218.33

• 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°	127.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-196.32	kJ/mol	Joback Calculated Property
ΔfusH°	17.48	kJ/mol	Joback Calculated Property
ΔvapH°	53.82	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2269.73	kPa	Joback Calculated Property
Inp	[1658.00; 1658.00]
Inp	1658.00		NIST
Inp	1658.00		NIST
Tboil	615.30	K	Joback Calculated Property
Tc	842.99	K	Joback Calculated Property
Tfus	400.19	K	Joback Calculated Property
Vc	0.728	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.87; 641.63]	J/mol×K	[615.30; 842.99]
Cp,gas	530.87	J/mol×K	615.30	Joback Calculated Property
Cp,gas	551.35	J/mol×K	653.25	Joback Calculated Property
Cp,gas	570.61	J/mol×K	691.20	Joback Calculated Property
Cp,gas	588.97	J/mol×K	729.15	Joback Calculated Property
Cp,gas	606.73	J/mol×K	767.10	Joback Calculated Property
Cp,gas	624.18	J/mol×K	805.04	Joback Calculated Property
Cp,gas	641.63	J/mol×K	842.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Italicen-15-al (2,11-cycloacor-3-en-15-al).

Sources

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

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