- InChI
- InChI=1S/C10H14O/c1-4-9-5-8(2)6-10(7-9)11-3/h5-7H,4H2,1-3H3
- InChI Key
- SMOHZTWJKGTUIA-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CCc1cc(C)cc(OC)c1
- Molecular Weight1
- 150.22
- 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 | 0.4812 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.566 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | [1179.00; 1204.00] |
|
|
| Inp | 1179.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Tboil | 480.94 | K | Relay (1.0) Calculated Property |
| Tc | 688.19 | K | Relay (1.0) Calculated Property |
| Tfus | 220.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.500 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.87; 429.13] | 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 | 1.39910e+01 | |||
| Coefficient B | 6.92760e-01 | |||
| Coefficient C | -3.06320e-04 | |||
| Coefficient D | 2.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 222.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 259.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 293.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 324.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 351.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 375.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 396.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 414.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 429.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013933; 0.0001819] | Pa×s | [276.15; 485.22] |
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 | -1.13019e+01 | |||
| Coefficient B | 1.30503e+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. | 276.15 | |||
| Temperature range, max. | 485.22 | |||
| η | 0.0013933 | Pa×s | 276.15 | Calculated Property |
| η | 0.0009656 | Pa×s | 299.38 | Calculated Property |
| η | 0.0007055 | Pa×s | 322.61 | Calculated Property |
| η | 0.0005376 | Pa×s | 345.84 | Calculated Property |
| η | 0.0004240 | Pa×s | 369.07 | Calculated Property |
| η | 0.0003439 | Pa×s | 392.30 | Calculated Property |
| η | 0.0002855 | Pa×s | 415.53 | Calculated Property |
| η | 0.0002418 | Pa×s | 438.76 | Calculated Property |
| η | 0.0002082 | Pa×s | 461.99 | Calculated Property |
| η | 0.0001819 | Pa×s | 485.22 | Calculated Property |
Similar Compounds
Find more compounds similar to Anisole, 3-ethyl-5-methyl.
Sources
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