Chemical Properties of Ethylparaben (CAS 120-47-8)

InChI

InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

InChI Key

NUVBSKCKDOMJSU-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

CCOC(=O)c1ccc(O)cc1

Molecular Weight¹

166.17

CAS

120-47-8

Other Names

• 4-(Ethoxycarbonyl)phenol
• 4-Carbethoxyphenol
• 4-Hydroxybenzoic acid, ethyl ester
• Aseptin A
• Aseptine A
• Aseptoform E
• Benzoic acid, p-hydroxy-, ethyl ester
• Bonomold OE
• Easeptol
• Ester etylowykwasu p-hydroksybenzoesowego
• Ethyl Butex
• Ethyl p-oxybenzoate
• Ethyl para-hydroxybenzoate
• Ethyl parasept
• Ethyl-p-hydroxybenzoate
• Ethylester kyseliny p-hydroxybenzoove
• Mekkings E
• Mycocten
• NSC 23514
• Napagin A
• Nipagin A
• Nipagina A
• Nipazin A
• Para-hydroxybenzoic acid ethyl ester
• Sobrol A
• Solbrol A
• Tegosept E
• benzoic acid, 4-hydroxy-, ethyl ester
• ethyl 4-hydroxybenzoate
• ethyl p-hydroxybenzoate
• p-Carbethoxyphenol
• p-Hydroxybenzoate ethyl ester
• p-Hydroxybenzoic acid ethyl ester
• p-Oxybenzoesaeureaethylester

• ω : Acentric Factor.
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.6437		Relay (1.0) Calculated Property
ΔfH°gas	-493.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	100.90 ± 0.70	kJ/mol	NIST
ΔvapH°	78.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	[-2.35; -2.10]
log10WS	-2.10		Aq. Solubility Prediction
log10WS	-2.35		Estimated Solubility
log10WS	-2.35		Rytting (2005)
logPoct/wat	1.569		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	3920.94	kPa	Joback Calculated Property
Inp	1467.00		NIST
Tboil	570.70	K	NIST
Tc	744.42	K	Relay (1.0) Calculated Property
Tfus	[388.65; 389.95]	K
Tfus	388.65	K	Ternary phase diagrams of ethyl paraben and propyl paraben in ethanol aqueous solvents
Tfus	388.80	K	Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K
Tfus	389.95	K	Aq. Solubility Prediction
Vc	0.450	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.59; 359.81]	J/mol×K	[571.04; 796.48]
Cp,gas	301.59	J/mol×K	571.04	Joback Calculated Property
Cp,gas	313.19	J/mol×K	608.61	Joback Calculated Property
Cp,gas	323.95	J/mol×K	646.19	Joback Calculated Property
Cp,gas	333.92	J/mol×K	683.76	Joback Calculated Property
Cp,gas	343.19	J/mol×K	721.34	Joback Calculated Property
Cp,gas	351.79	J/mol×K	758.91	Joback Calculated Property
Cp,gas	359.81	J/mol×K	796.48	Joback Calculated Property
η	[0.0000410; 0.0019188]	Pa×s	[371.66; 571.04]
η	0.0019188	Pa×s	371.66	Joback Calculated Property
η	0.0007770	Pa×s	404.89	Joback Calculated Property
η	0.0003609	Pa×s	438.12	Joback Calculated Property
η	0.0001868	Pa×s	471.35	Joback Calculated Property
η	0.0001054	Pa×s	504.58	Joback Calculated Property
η	0.0000639	Pa×s	537.81	Joback Calculated Property
η	0.0000410	Pa×s	571.04	Joback Calculated Property
ΔfusH	[26.40; 32.49]	kJ/mol	[388.90; 389.20]
ΔfusH	32.49	kJ/mol	388.90	NIST
ΔfusH	26.40	kJ/mol	389.00	NIST
ΔfusH	27.90	kJ/mol	389.20	NIST
ΔvapH	72.70	kJ/mol	400.00	Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach

Similar Compounds

Find more compounds similar to Ethylparaben.

Mixtures

• Ethylparaben + Ethanol + Water
• Ethylparaben + Water
• Ethylparaben + Ethanol
• Ethylparaben + Methyl Alcohol + Water
• Ethylparaben + Methyl Alcohol
• Ethylparaben + Carbon dioxide
• Ethylparaben + Carbon dioxide + benzocaine

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Single-component and mixture solubilities of ethyl p-hydroxybenzoate and ethyl p-aminobenzoate in supercritical CO2
• Ternary phase diagrams of ethyl paraben and propyl paraben in ethanol aqueous solvents
• Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K
• Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach
• Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine
• Solubility of Parabens in Subcritical Water
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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