Chemical Properties of Dihydro-eugenol acetate (CAS 33943-26-9)

InChI

InChI=1S/C12H16O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h6-8H,4-5H2,1-3H3

InChI Key

IXIJPFDYLOLJQN-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

CCCc1ccc(OC(C)=O)c(OC)c1

Molecular Weight¹

208.25

CAS

33943-26-9

Other Names

• Phenol, 2-methoxy-4-propyl, acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.63; 540.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.75820e+01
Coefficient B			8.27960e-01
Coefficient C			-3.20520e-04
Coefficient D			-4.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.63	J/mol×K	273.00	Calculated Property
Cp,gas	290.18	J/mol×K	353.78	Calculated Property
Cp,gas	336.47	J/mol×K	434.56	Calculated Property
Cp,gas	378.51	J/mol×K	515.33	Calculated Property
Cp,gas	416.27	J/mol×K	596.11	Calculated Property
Cp,gas	449.74	J/mol×K	676.89	Calculated Property
Cp,gas	478.90	J/mol×K	757.67	Calculated Property
Cp,gas	503.75	J/mol×K	838.44	Calculated Property
Cp,gas	524.26	J/mol×K	919.22	Calculated Property
Cp,gas	540.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013356; 0.0001574]	Pa×s	[341.02; 556.53]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21402e+01
Coefficient B			1.88307e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			341.02
Temperature range, max.			556.53
η	0.0013356	Pa×s	341.02	Calculated Property
η	0.0009297	Pa×s	364.97	Calculated Property
η	0.0006767	Pa×s	388.91	Calculated Property
η	0.0005110	Pa×s	412.86	Calculated Property
η	0.0003979	Pa×s	436.80	Calculated Property
η	0.0003181	Pa×s	460.75	Calculated Property
η	0.0002599	Pa×s	484.69	Calculated Property
η	0.0002165	Pa×s	508.64	Calculated Property
η	0.0001833	Pa×s	532.59	Calculated Property
η	0.0001574	Pa×s	556.53	Calculated Property

Similar Compounds

Find more compounds similar to Dihydro-eugenol acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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