- InChI
- InChI=1S/C12H18O/c1-4-11(3)13-9-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3
- InChI Key
- RSNADEABRSYIJI-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CCC(C)OCc1ccc(C)cc1
- 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).
- 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 | 0.4917 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.310 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| Inp | [1317.00; 1317.00] |
|
|
| Inp | 1317.00 | NIST | |
| Inp | 1317.00 | NIST | |
| Tboil | 487.46 | K | Relay (1.0) Calculated Property |
| Tc | 695.15 | K | Relay (1.0) Calculated Property |
| Tfus | 229.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.43; 535.89] | 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 | -3.80800e+00 | |||
| Coefficient B | 9.48160e-01 | |||
| Coefficient C | -4.85360e-04 | |||
| Coefficient D | 7.69000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 220.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 322.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 366.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 405.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 439.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 469.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 495.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 517.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 535.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026822; 0.0001727] | Pa×s | [271.17; 511.67] |
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 | -1.17567e+01 | |||
| Coefficient B | 1.58243e+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. | 271.17 | |||
| Temperature range, max. | 511.67 | |||
| η | 0.0026822 | Pa×s | 271.17 | Calculated Property |
| η | 0.0015891 | Pa×s | 297.89 | Calculated Property |
| η | 0.0010262 | Pa×s | 324.61 | Calculated Property |
| η | 0.0007083 | Pa×s | 351.34 | Calculated Property |
| η | 0.0005152 | Pa×s | 378.06 | Calculated Property |
| η | 0.0003908 | Pa×s | 404.78 | Calculated Property |
| η | 0.0003068 | Pa×s | 431.50 | Calculated Property |
| η | 0.0002477 | Pa×s | 458.23 | Calculated Property |
| η | 0.0002048 | Pa×s | 484.95 | Calculated Property |
| η | 0.0001727 | Pa×s | 511.67 | Calculated Property |
Similar Compounds
Find more compounds similar to (4-Methylphenyl) methanol, 1-methylpropyl ether.
Sources
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