- InChI
- InChI=1S/C9H12O/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3
- InChI Key
- DWLZULQNIPIABE-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CCc1cccc(OC)c1
- Molecular Weight1
- 136.19
- CAS
- 10568-38-4
- Other Names
-
- m-Ethylanisole
- Benzene, 1-ethyl-3-methoxy-
- 3-Ethylanisole
- 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).
- 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).
- Inp : Non-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 | 0.4301 | Relay (1.0) Calculated Property | |
| ΔfG° | 22.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.258 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3145.56 | kPa | Joback Calculated Property |
| Inp | [1080.00; 1126.20] |
|
|
| Inp | 1110.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1126.20 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1126.20 | NIST | |
| Tboil | 464.71 | K | Relay (1.0) Calculated Property |
| Tc | 671.89 | K | Relay (1.0) Calculated Property |
| Tfus | 210.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.30 | kJ/mol | 388.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 469.70 | K | 101.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.10; 380.58] | 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 | 6.01000e-01 | |||
| Coefficient B | 6.57240e-01 | |||
| Coefficient C | -3.18960e-04 | |||
| Coefficient D | 4.17000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 157.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 229.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 260.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 287.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 312.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 333.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 352.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 367.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 380.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018481; 0.0001858] | Pa×s | [252.36; 466.79] |
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 | -1.12949e+01 | |||
| Coefficient B | 1.26213e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 252.36 | |||
| Temperature range, max. | 466.79 | |||
| η | 0.0018481 | Pa×s | 252.36 | Calculated Property |
| η | 0.0012004 | Pa×s | 276.19 | Calculated Property |
| η | 0.0008351 | Pa×s | 300.01 | Calculated Property |
| η | 0.0006128 | Pa×s | 323.84 | Calculated Property |
| η | 0.0004691 | Pa×s | 347.66 | Calculated Property |
| η | 0.0003717 | Pa×s | 371.49 | Calculated Property |
| η | 0.0003029 | Pa×s | 395.31 | Calculated Property |
| η | 0.0002526 | Pa×s | 419.14 | Calculated Property |
| η | 0.0002148 | Pa×s | 442.97 | Calculated Property |
| η | 0.0001858 | Pa×s | 466.79 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 100.76] | kPa | [306.90; 469.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54536e+01 | |||
| Coefficient B | -4.65866e+03 | |||
| Coefficient C | -3.99660e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 306.90 | |||
| Temperature range, max. | 469.70 | |||
| Pvap | 0.14 | kPa | 306.90 | Calculated Property |
| Pvap | 0.41 | kPa | 324.99 | Calculated Property |
| Pvap | 1.09 | kPa | 343.08 | Calculated Property |
| Pvap | 2.58 | kPa | 361.17 | Calculated Property |
| Pvap | 5.60 | kPa | 379.26 | Calculated Property |
| Pvap | 11.22 | kPa | 397.34 | Calculated Property |
| Pvap | 21.03 | kPa | 415.43 | Calculated Property |
| Pvap | 37.20 | kPa | 433.52 | Calculated Property |
| Pvap | 62.58 | kPa | 451.61 | Calculated Property |
| Pvap | 100.76 | kPa | 469.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethylphenol, methyl ether.
Sources
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