Chemical Properties of isoeugenyl acetate 2 (CAS 97412-23-2)

InChI

InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4-

InChI Key

IUSBVFZKQJGVEP-PLNGDYQASA-N

Formula

C12H14O3

SMILES

CC=Cc1ccc(OC(C)=O)c(OC)c1

Molecular Weight¹

206.24

CAS

97412-23-2

Other Names

• (Z)-Isoeugenol acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-115.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-337.22	kJ/mol	Joback Calculated Property
ΔfusH°	24.28	kJ/mol	Joback Calculated Property
ΔvapH°	57.43	kJ/mol	Joback Calculated Property
log10WS	-3.15		Crippen Calculated Property
logPoct/wat	2.654		Crippen Calculated Property
McVol	165.190	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Inp	[1565.00; 1581.20]
Inp	1581.20		NIST
Inp	1565.00		NIST
Inp	1566.00		NIST
Inp	1581.20		NIST
Tboil	613.47	K	Joback Calculated Property
Tc	827.88	K	Joback Calculated Property
Tfus	365.77	K	Joback Calculated Property
Vc	0.622	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.09; 470.13]	J/mol×K	[613.47; 827.88]
Cp,gas	398.09	J/mol×K	613.47	Joback Calculated Property
Cp,gas	411.97	J/mol×K	649.20	Joback Calculated Property
Cp,gas	425.09	J/mol×K	684.94	Joback Calculated Property
Cp,gas	437.45	J/mol×K	720.67	Joback Calculated Property
Cp,gas	449.08	J/mol×K	756.41	Joback Calculated Property
Cp,gas	459.96	J/mol×K	792.14	Joback Calculated Property
Cp,gas	470.13	J/mol×K	827.88	Joback Calculated Property
η	[0.0001222; 0.0009291]	Pa×s	[365.77; 613.47]
η	0.0009291	Pa×s	365.77	Joback Calculated Property
η	0.0005581	Pa×s	407.05	Joback Calculated Property
η	0.0003683	Pa×s	448.34	Joback Calculated Property
η	0.0002607	Pa×s	489.62	Joback Calculated Property
η	0.0001947	Pa×s	530.90	Joback Calculated Property
η	0.0001516	Pa×s	572.19	Joback Calculated Property
η	0.0001222	Pa×s	613.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to isoeugenyl acetate 2.

Sources

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

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