- InChI
- InChI=1S/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
- InChI Key
- HYUPPKVFCGIMDB-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- CCOC(=O)Cc1ccc(O)cc1
- Molecular Weight1
- 180.20
- Other Names
-
- 4-Hydroxyphenylacetic acid ethyl ester
- Acetic acid, (p-hydroxyphenyl)-, ethyl ester
- Ethyl (p-hydroxyphenyl)acetate
- Ethyl 4-hydroxyphenylacetate
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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 | 0.6543 | Relay (1.0) Calculated Property | |
| ΔfG° | -319.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.498 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Inp | [1559.00; 1559.00] |
|
|
| Inp | 1559.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Tboil | 563.55 | K | Relay (1.0) Calculated Property |
| Tc | 766.59 | K | Relay (1.0) Calculated Property |
| Tfus | 310.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.59; 447.24] | 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 | -2.36180e+01 | |||
| Coefficient B | 9.74720e-01 | |||
| Coefficient C | -7.13160e-04 | |||
| Coefficient D | 2.09300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 282.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 317.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 348.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 396.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 415.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 432.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 447.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0205293; 0.0000432] | Pa×s | [310.15; 570.66] |
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 | -1.73889e+01 | |||
| Coefficient B | 4.18796e+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. | 310.15 | |||
| Temperature range, max. | 570.66 | |||
| η | 0.0205293 | Pa×s | 310.15 | Calculated Property |
| η | 0.0064834 | Pa×s | 339.10 | Calculated Property |
| η | 0.0024545 | Pa×s | 368.04 | Calculated Property |
| η | 0.0010706 | Pa×s | 396.99 | Calculated Property |
| η | 0.0005227 | Pa×s | 425.93 | Calculated Property |
| η | 0.0002796 | Pa×s | 454.88 | Calculated Property |
| η | 0.0001612 | Pa×s | 483.82 | Calculated Property |
| η | 0.0000989 | Pa×s | 512.77 | Calculated Property |
| η | 0.0000639 | Pa×s | 541.71 | Calculated Property |
| η | 0.0000432 | Pa×s | 570.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 4-hydroxy-, ethyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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