- InChI
- InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
- InChI Key
- HMNKTRSOROOSPP-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- CCc1cccc(O)c1
- Molecular Weight1
- 122.16
- CAS
- 620-17-7
- Other Names
-
- 1-ethyl-3-hydroxybenzene
- 1-hydroxy-3-ethylbenzene
- 3-ethylphenol
- m-ethylphenol
- phenol, m-ethyl-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5142 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4362.90 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -25.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-146.60; -146.20] | kJ/mol |
|
| ΔfH°gas | -146.60 | kJ/mol | KDB |
| ΔfH°gas | -146.20 ± 1.70 | kJ/mol | NIST |
| ΔfH°liquid | -214.30 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 16.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [68.10; 68.20] | kJ/mol |
|
| ΔvapH° | 68.20 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 68.10 | kJ/mol | NIST |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.955 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Inp | [190.60; 1195.00] |
|
|
| Inp | 1140.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1142.70 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1183.70 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | Outlier 197.80 | NIST | |
| Inp | Outlier 190.60 | NIST | |
| Inp | Outlier 194.60 | NIST | |
| Inp | Outlier 196.96 | NIST | |
| Inp | Outlier 196.80 | NIST | |
| Inp | Outlier 196.96 | NIST | |
| Inp | 1183.70 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | Outlier 196.80 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1189.00 | NIST | |
| I | [2141.00; 2218.00] |
|
|
| I | 2195.00 | NIST | |
| I | 2189.00 | NIST | |
| I | 2188.00 | NIST | |
| I | 2189.00 | NIST | |
| I | 2190.00 | NIST | |
| I | 2205.00 | NIST | |
| I | 2168.00 | NIST | |
| I | 2169.00 | NIST | |
| I | 2171.00 | NIST | |
| I | 2210.00 | NIST | |
| I | 2170.00 | NIST | |
| I | 2167.00 | NIST | |
| I | 2171.00 | NIST | |
| I | 2194.00 | NIST | |
| I | 2194.00 | NIST | |
| I | 2181.00 | NIST | |
| I | 2191.00 | NIST | |
| I | 2150.00 | NIST | |
| I | 2170.00 | NIST | |
| I | Outlier 2141.00 | NIST | |
| I | 2151.00 | NIST | |
| I | 2218.00 | NIST | |
| I | 2190.00 | NIST | |
| I | 2195.00 | NIST | |
| Tboil | [476.15; 492.15] | K |
|
| Tboil | 491.57 | K | KDB |
| Tboil | 487.15 ± 3.00 | K | NIST |
| Tboil | 492.05 ± 3.00 | K | NIST |
| Tboil | 491.65 ± 2.00 | K | NIST |
| Tboil | 490.15 ± 3.00 | K | NIST |
| Tboil | 491.15 ± 3.00 | K | NIST |
| Tboil | 492.15 ± 3.00 | K | NIST |
| Tboil | 490.15 ± 3.00 | K | NIST |
| Tboil | Outlier 476.15 ± 3.00 | K | NIST |
| Tc | [716.45; 718.80] | K |
|
| Tc | 718.80 | K | KDB |
| Tc | 716.45 ± 0.15 | K | NIST |
| Tfus | [268.65; 269.15] | K |
|
| Tfus | 269.00 | K | KDB |
| Tfus | 269.15 ± 2.00 | K | NIST |
| Tfus | 269.15 ± 2.00 | K | NIST |
| Tfus | Outlier 268.65 ± 1.00 | K | NIST |
| Tfus | 269.15 ± 2.00 | K | NIST |
| Tfus | 269.15 ± 2.00 | K | NIST |
| Tfus | 269.15 ± 2.00 | K | NIST |
| Tfus | 269.15 ± 2.00 | K | NIST |
| Tfus | 269.15 ± 2.00 | K | NIST |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [48.80; 68.10] | kJ/mol | [300.00; 474.00] |
|
| ΔvapH | 68.10 | kJ/mol | 300.00 | NIST |
| ΔvapH | 58.30 | kJ/mol | 417.50 | NIST |
| ΔvapH | 56.50 | kJ/mol | 417.50 | NIST |
| ΔvapH | 55.20 | kJ/mol | 417.50 | NIST |
| ΔvapH | 53.70 | kJ/mol | 417.50 | NIST |
| ΔvapH | 48.80 | kJ/mol | 417.50 | NIST |
| ΔvapH | 53.10 | kJ/mol | 474.00 | NIST |
| ρl | 1025.00 | kg/m3 | 273.00 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 382.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.82; 335.95] | 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 | -4.72090e+01 | |||
| Coefficient B | 8.39520e-01 | |||
| Coefficient C | -6.98960e-04 | |||
| Coefficient D | 2.42600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 173.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 233.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 256.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 276.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 293.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 308.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 322.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 335.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0407875; 0.0000806] | Pa×s | [269.13; 502.34] |
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 | -1.66126e+01 | |||
| Coefficient B | 3.60992e+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. | 269.13 | |||
| Temperature range, max. | 502.34 | |||
| η | 0.0407875 | Pa×s | 269.13 | Calculated Property |
| η | 0.0125582 | Pa×s | 295.04 | Calculated Property |
| η | 0.0046767 | Pa×s | 320.95 | Calculated Property |
| η | 0.0020185 | Pa×s | 346.87 | Calculated Property |
| η | 0.0009792 | Pa×s | 372.78 | Calculated Property |
| η | 0.0005218 | Pa×s | 398.69 | Calculated Property |
| η | 0.0003003 | Pa×s | 424.60 | Calculated Property |
| η | 0.0001842 | Pa×s | 450.51 | Calculated Property |
| η | 0.0001191 | Pa×s | 476.43 | Calculated Property |
| η | 0.0000806 | Pa×s | 502.34 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [373.26; 516.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56730e+01 | |||
| Coefficient B | -4.54561e+03 | |||
| Coefficient C | -7.78060e+01 | |||
| Temperature range, min. | 373.26 | |||
| Temperature range, max. | 516.51 | |||
| Pvap | 1.33 | kPa | 373.26 | Calculated Property |
| Pvap | 2.93 | kPa | 389.18 | Calculated Property |
| Pvap | 5.96 | kPa | 405.09 | Calculated Property |
| Pvap | 11.34 | kPa | 421.01 | Calculated Property |
| Pvap | 20.40 | kPa | 436.93 | Calculated Property |
| Pvap | 34.90 | kPa | 452.84 | Calculated Property |
| Pvap | 57.17 | kPa | 468.76 | Calculated Property |
| Pvap | 90.10 | kPa | 484.68 | Calculated Property |
| Pvap | 137.20 | kPa | 500.59 | Calculated Property |
| Pvap | 202.66 | kPa | 516.51 | Calculated Property |
| Pvap | [1.14; 133.47] | kPa | [370.00; 502.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.13752e+02 | |||
| Coefficient B | -1.18918e+04 | |||
| Coefficient C | -1.38880e+01 | |||
| Coefficient D | 4.72667e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 370.00 | |||
| Temperature range, max. | 502.15 | |||
| Pvap | 1.14 | kPa | 370.00 | Calculated Property |
| Pvap | 2.39 | kPa | 384.68 | Calculated Property |
| Pvap | 4.67 | kPa | 399.37 | Calculated Property |
| Pvap | 8.61 | kPa | 414.05 | Calculated Property |
| Pvap | 15.04 | kPa | 428.73 | Calculated Property |
| Pvap | 25.08 | kPa | 443.42 | Calculated Property |
| Pvap | 40.12 | kPa | 458.10 | Calculated Property |
| Pvap | 61.84 | kPa | 472.78 | Calculated Property |
| Pvap | 92.20 | kPa | 487.47 | Calculated Property |
| Pvap | 133.47 | kPa | 502.15 | Calculated Property |
| Pvap | [26.55; 133.42] | kPa | [445.22; 502.74] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41931e+01 | |||
| Coefficient B | -3.61603e+03 | |||
| Coefficient C | -1.13901e+02 | |||
| Reference | Biddiscombe, Handley, et al., 1963 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 445.22 | |||
| Temperature range, max. | 502.74 | |||
| Pvap | 26.55 | kPa | 445.22 | Calculated Property |
| Pvap | 32.64 | kPa | 451.61 | Calculated Property |
| Pvap | 39.82 | kPa | 458.00 | Calculated Property |
| Pvap | 48.23 | kPa | 464.39 | Calculated Property |
| Pvap | 58.02 | kPa | 470.78 | Calculated Property |
| Pvap | 69.34 | kPa | 477.18 | Calculated Property |
| Pvap | 82.37 | kPa | 483.57 | Calculated Property |
| Pvap | 97.26 | kPa | 489.96 | Calculated Property |
| Pvap | 114.22 | kPa | 496.35 | Calculated Property |
| Pvap | 133.42 | kPa | 502.74 | Calculated Property |
| Pvap | [1.25; 94.11] | kPa | [370.30; 491.40] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.10113e+01 | |||
| Coefficient B | -1.95501e+03 | |||
| Coefficient C | -1.89088e+02 | |||
| Reference | von Terres, Gebert, et al., 1955 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 370.30 | |||
| Temperature range, max. | 491.40 | |||
| Pvap | 1.25 | kPa | 370.30 | Calculated Property |
| Pvap | 2.63 | kPa | 383.76 | Calculated Property |
| Pvap | 5.04 | kPa | 397.21 | Calculated Property |
| Pvap | 8.92 | kPa | 410.67 | Calculated Property |
| Pvap | 14.78 | kPa | 424.12 | Calculated Property |
| Pvap | 23.19 | kPa | 437.58 | Calculated Property |
| Pvap | 34.74 | kPa | 451.03 | Calculated Property |
| Pvap | 50.03 | kPa | 464.49 | Calculated Property |
| Pvap | 69.63 | kPa | 477.94 | Calculated Property |
| Pvap | 94.11 | kPa | 491.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3-ethyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid-Liquid Equilibrium Measurements for Model Systems Related to Catalytic Fast Pyrolysis of Biomass
- Effect of Isomers on Partition Coefficients for Phenolic Compounds in the 1-Butyl-3-methylimidazolium Hexafluorophosphate + Water Two-Phase System
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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