Chemical Properties of Methyl-«beta»-(E)-ionyl angelate

InChI

InChI=1S/C19H30O2/c1-8-13(2)18(20)21-16(5)15(4)12-17-14(3)10-9-11-19(17,6)7/h8,12,16H,9-11H2,1-7H3/b13-8-,15-12+

InChI Key

KPRKGDYBUQYSOZ-RRKOQZBASA-N

Formula

C19H30O2

SMILES

CC=C(C)C(=O)OC(C)C(C)=CC1=C(C)CCCC1(C)C

Molecular Weight¹

290.44

• 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 : 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°	45.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.31	kJ/mol	Joback Calculated Property
ΔfusH°	28.00	kJ/mol	Joback Calculated Property
ΔvapH°	67.63	kJ/mol	Joback Calculated Property
log10WS	-5.96		Crippen Calculated Property
logPoct/wat	5.357		Crippen Calculated Property
McVol	262.250	ml/mol	McGowan Calculated Property
Pc	1459.02	kPa	Joback Calculated Property
I	[2133.00; 2133.00]
I	2133.00		NIST
I	2133.00		NIST
Tboil	746.96	K	Joback Calculated Property
Tc	961.88	K	Joback Calculated Property
Tfus	380.05	K	Joback Calculated Property
Vc	0.997	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.16; 882.21]	J/mol×K	[746.96; 961.88]
Cp,gas	769.16	J/mol×K	746.96	Joback Calculated Property
Cp,gas	789.60	J/mol×K	782.78	Joback Calculated Property
Cp,gas	809.21	J/mol×K	818.60	Joback Calculated Property
Cp,gas	828.14	J/mol×K	854.42	Joback Calculated Property
Cp,gas	846.52	J/mol×K	890.24	Joback Calculated Property
Cp,gas	864.50	J/mol×K	926.06	Joback Calculated Property
Cp,gas	882.21	J/mol×K	961.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl-«beta»-(E)-ionyl angelate.

Sources

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

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