- 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, 4-hydroxy-, ethyl ester
- Benzoic acid, p-hydroxy-, ethyl ester
- Bonomold OE
- Easeptol
- Ester etylowykwasu p-hydroksybenzoesowego
- Ethyl 4-hydroxybenzoate
- Ethyl Butex
- Ethyl p-hydroxybenzoate
- 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
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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 | |
| ΔfG° | -251.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 100.90 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 77.87 | 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 | 4130.29 | kPa | Joback Calculated Property |
| Inp | [1467.00; 1467.00] |
|
|
| Inp | 1467.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Tboil | 570.70 | K | NIST |
| Tc | 743.97 | K | Relay (1.0) Calculated Property |
| Tfus | [388.65; 389.95] | K |
|
| Tfus | 389.95 | K | Aq. Solubility Prediction |
| 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 |
| Vc | 0.452 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.03; 361.35] | J/mol×K | [588.91; 816.64] |
|
| Cp,gas | 304.03 | J/mol×K | 588.91 | Joback Calculated Property |
| Cp,gas | 315.28 | J/mol×K | 626.86 | Joback Calculated Property |
| Cp,gas | 325.77 | J/mol×K | 664.82 | Joback Calculated Property |
| Cp,gas | 335.56 | J/mol×K | 702.77 | Joback Calculated Property |
| Cp,gas | 344.71 | J/mol×K | 740.73 | Joback Calculated Property |
| Cp,gas | 353.29 | J/mol×K | 778.68 | Joback Calculated Property |
| Cp,gas | 361.35 | J/mol×K | 816.64 | Joback Calculated Property |
| η | [0.0000400; 0.0010100] | Pa×s | [401.49; 588.91] |
|
| η | 0.0010100 | Pa×s | 401.49 | Joback Calculated Property |
| η | 0.0004856 | Pa×s | 432.73 | Joback Calculated Property |
| η | 0.0002577 | Pa×s | 463.96 | Joback Calculated Property |
| η | 0.0001481 | Pa×s | 495.20 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 526.44 | Joback Calculated Property |
| η | 0.0000590 | Pa×s | 557.67 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 588.91 | 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
- 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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