Chemical Properties of Ylangenal (CAS 41610-68-8)

InChI

InChI=1S/C15H22O/c1-9(2)11-6-7-15(3)12-5-4-10(8-16)14(15)13(11)12/h4,8-9,11-14H,5-7H2,1-3H3

InChI Key

IDQMMWWVRDXRNI-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC(C)C1CCC2(C)C3CC=C(C=O)C2C13

Molecular Weight¹

218.33

CAS

41610-68-8

• 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	0.4026		Relay (1.0) Calculated Property
ΔfG°	143.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-107.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.35	kJ/mol	Joback Calculated Property
ΔvapH°	73.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	3.450		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2141.36	kPa	Joback Calculated Property
Inp	[1674.60; 1674.60]
Inp	1674.60		NIST
Inp	1674.60		NIST
Tboil	549.35	K	Relay (1.0) Calculated Property
Tc	828.96	K	Relay (1.0) Calculated Property
Tfus	313.71	K	Relay (1.0) Calculated Property
Vc	0.640	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.68; 637.44]	J/mol×K	[610.35; 826.83]
Cp,gas	531.68	J/mol×K	610.35	Joback Calculated Property
Cp,gas	551.80	J/mol×K	646.43	Joback Calculated Property
Cp,gas	570.67	J/mol×K	682.51	Joback Calculated Property
Cp,gas	588.49	J/mol×K	718.59	Joback Calculated Property
Cp,gas	605.44	J/mol×K	754.67	Joback Calculated Property
Cp,gas	621.69	J/mol×K	790.75	Joback Calculated Property
Cp,gas	637.44	J/mol×K	826.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ylangenal.

Sources

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

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