Chemical Properties of 2-(2,5-Dimethoxy-4-ethylphenyl)ethanol, acetate

InChI

InChI=1S/C14H20O4/c1-5-11-8-14(17-4)12(9-13(11)16-3)6-7-18-10(2)15/h8-9H,5-7H2,1-4H3

InChI Key

KFQOLOALHKPWDS-UHFFFAOYSA-N

Formula

C14H20O4

SMILES

CCc1cc(OC)c(CCOC(C)=O)cc1OC

Molecular Weight¹

252.31

Other Names

• 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HO-), acetylated

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-684.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.64	kJ/mol	Joback Calculated Property
ΔvapH°	93.67	kJ/mol	Relay (1.0) Calculated Property
IE	7.76	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	2.372		Crippen Calculated Property
McVol	203.540	ml/mol	McGowan Calculated Property
Pc	1882.17	kPa	Joback Calculated Property
Inp	[1850.00; 1850.00]
Inp	1850.00		NIST
Inp	1850.00		NIST
Tboil	594.07	K	Relay (1.0) Calculated Property
Tc	783.14	K	Relay (1.0) Calculated Property
Tfus	311.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.82; 621.84]	J/mol×K	[664.60; 862.03]
Cp,gas	541.82	J/mol×K	664.60	Joback Calculated Property
Cp,gas	557.24	J/mol×K	697.51	Joback Calculated Property
Cp,gas	571.85	J/mol×K	730.41	Joback Calculated Property
Cp,gas	585.63	J/mol×K	763.32	Joback Calculated Property
Cp,gas	598.56	J/mol×K	796.22	Joback Calculated Property
Cp,gas	610.64	J/mol×K	829.13	Joback Calculated Property
Cp,gas	621.84	J/mol×K	862.03	Joback Calculated Property
η	[0.0000815; 0.0007031]	Pa×s	[398.31; 664.60]
η	0.0007031	Pa×s	398.31	Joback Calculated Property
η	0.0004100	Pa×s	442.69	Joback Calculated Property
η	0.0002638	Pa×s	487.07	Joback Calculated Property
η	0.0001827	Pa×s	531.45	Joback Calculated Property
η	0.0001339	Pa×s	575.84	Joback Calculated Property
η	0.0001026	Pa×s	620.22	Joback Calculated Property
η	0.0000815	Pa×s	664.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2,5-Dimethoxy-4-ethylphenyl)ethanol, acetate.

Sources

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

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