- InChI
- InChI=1S/C12H18O/c1-3-4-8-13-10-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3
- InChI Key
- LZLXCRULGUUVAY-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CCCCOCc1cccc(C)c1
- Molecular Weight1
- 178.27
- 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).
- 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 | 0.5390 | Relay (1.0) Calculated Property | |
| ΔfG° | 47.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.312 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Inp | [1354.00; 1354.00] |
|
|
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Tboil | 494.05 | K | Relay (1.0) Calculated Property |
| Tc | 715.64 | K | Relay (1.0) Calculated Property |
| Tfus | 199.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.75; 535.35] | 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 | -2.12600e+00 | |||
| Coefficient B | 9.42240e-01 | |||
| Coefficient C | -4.82160e-04 | |||
| Coefficient D | 7.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 220.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 322.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 365.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 404.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 438.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 468.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 494.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 535.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019790; 0.0001864] | Pa×s | [286.17; 508.97] |
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 | -1.16227e+01 | |||
| Coefficient B | 1.54461e+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. | 286.17 | |||
| Temperature range, max. | 508.97 | |||
| η | 0.0019790 | Pa×s | 286.17 | Calculated Property |
| η | 0.0012877 | Pa×s | 310.93 | Calculated Property |
| η | 0.0008927 | Pa×s | 335.68 | Calculated Property |
| η | 0.0006508 | Pa×s | 360.44 | Calculated Property |
| η | 0.0004941 | Pa×s | 385.19 | Calculated Property |
| η | 0.0003879 | Pa×s | 409.95 | Calculated Property |
| η | 0.0003130 | Pa×s | 434.70 | Calculated Property |
| η | 0.0002584 | Pa×s | 459.46 | Calculated Property |
| η | 0.0002176 | Pa×s | 484.21 | Calculated Property |
| η | 0.0001864 | Pa×s | 508.97 | Calculated Property |
Similar Compounds
Find more compounds similar to (3-Methylphenyl) methanol, n-butyl ether.
Sources
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