Chemical Properties of Isoeugenol, benzyl ether (CAS 120-11-6)

InChI

InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+

InChI Key

YKSSSKBJDZDZTD-XVNBXDOJSA-N

Formula

C17H18O2

SMILES

CC=Cc1ccc(OCc2ccccc2)c(OC)c1

Molecular Weight¹

254.32

CAS

120-11-6

Other Names

• Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-
• Benzene, 1-(benzyloxy)-2-methoxy-4-propenyl-
• Benzyl alcohol, ether with isoeugenol
• Benzyl isoeugenol
• Benzyl isoeugenol ether
• Benzyl 2-methoxy-4-propenylphenyl ether
• 1-(Benzyloxy)-2-methoxy-4-(1-propenyl)benzene
• Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)-
• NSC 46157
• benzyl 2-methoxy-4-prop-1-enylphenyl ether

• ω : Acentric Factor.
• 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).
• 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	0.6275		Relay (1.0) Calculated Property
ΔfG°	168.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-57.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.67	kJ/mol	Joback Calculated Property
ΔvapH°	89.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	4.307		Crippen Calculated Property
McVol	210.310	ml/mol	McGowan Calculated Property
Pc	2066.12	kPa	Joback Calculated Property
Inp	[2078.40; 2078.40]
Inp	2078.40		NIST
Inp	2078.40		NIST
Tboil	622.18	K	Relay (1.0) Calculated Property
Tc	857.88	K	Relay (1.0) Calculated Property
Tfus	367.91	K	Relay (1.0) Calculated Property
Vc	0.751	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.28; 641.34]	J/mol×K	[700.68; 930.89]
Cp,gas	556.28	J/mol×K	700.68	Joback Calculated Property
Cp,gas	573.27	J/mol×K	739.05	Joback Calculated Property
Cp,gas	589.08	J/mol×K	777.42	Joback Calculated Property
Cp,gas	603.75	J/mol×K	815.79	Joback Calculated Property
Cp,gas	617.32	J/mol×K	854.16	Joback Calculated Property
Cp,gas	629.83	J/mol×K	892.52	Joback Calculated Property
Cp,gas	641.34	J/mol×K	930.89	Joback Calculated Property
η	[0.0000724; 0.0006987]	Pa×s	[398.61; 700.68]
η	0.0006987	Pa×s	398.61	Joback Calculated Property
η	0.0003874	Pa×s	448.96	Joback Calculated Property
η	0.0002420	Pa×s	499.30	Joback Calculated Property
η	0.0001647	Pa×s	549.64	Joback Calculated Property
η	0.0001196	Pa×s	599.99	Joback Calculated Property
η	0.0000913	Pa×s	650.34	Joback Calculated Property
η	0.0000724	Pa×s	700.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isoeugenol, benzyl ether.

Sources

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

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