- 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.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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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; 1467.00] |
|
|
| Inp | 1467.00 | NIST | |
| 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 |
|---|---|---|---|---|
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.37; 395.65] | 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 | -2.27090e+01 | |||
| Coefficient B | 8.79720e-01 | |||
| Coefficient C | -6.58760e-04 | |||
| Coefficient D | 1.97400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 214.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 251.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 282.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 309.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 332.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 351.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 382.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 395.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011701; 0.0000488] | Pa×s | [389.13; 557.54] |
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 | -1.72710e+01 | |||
| Coefficient B | 4.09380e+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. | 389.13 | |||
| Temperature range, max. | 557.54 | |||
| η | 0.0011701 | Pa×s | 389.13 | Calculated Property |
| η | 0.0007221 | Pa×s | 407.85 | Calculated Property |
| η | 0.0004649 | Pa×s | 426.56 | Calculated Property |
| η | 0.0003106 | Pa×s | 445.27 | Calculated Property |
| η | 0.0002144 | Pa×s | 463.98 | Calculated Property |
| η | 0.0001523 | Pa×s | 482.69 | Calculated Property |
| η | 0.0001110 | Pa×s | 501.40 | Calculated Property |
| η | 0.0000827 | Pa×s | 520.12 | Calculated Property |
| η | 0.0000629 | Pa×s | 538.83 | Calculated Property |
| η | 0.0000488 | Pa×s | 557.54 | Calculated Property |
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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