- InChI
- InChI=1S/C13H20O/c1-4-11(2)9-14-10-13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3
- InChI Key
- BVKBYXPKXJIWJM-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CCC(C)COCc1ccc(C)cc1
- Molecular Weight1
- 192.30
- 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).
- 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 | 0.5392 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.34 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.558 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | [1418.00; 1418.00] |
|
|
| Inp | 1418.00 | NIST | |
| Inp | 1418.00 | NIST | |
| Tboil | 512.77 | K | Relay (1.0) Calculated Property |
| Tc | 730.14 | K | Relay (1.0) Calculated Property |
| Tfus | 220.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.64; 587.48] | 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 | -4.71700e+00 | |||
| Coefficient B | 1.04316e+00 | |||
| Coefficient C | -5.39760e-04 | |||
| Coefficient D | 8.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 241.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 353.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 401.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 444.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 481.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 514.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 542.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 567.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 587.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026219; 0.0001682] | Pa×s | [282.44; 525.64] |
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 | -1.18799e+01 | |||
| Coefficient B | 1.67659e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 282.44 | |||
| Temperature range, max. | 525.64 | |||
| η | 0.0026219 | Pa×s | 282.44 | Calculated Property |
| η | 0.0015614 | Pa×s | 309.46 | Calculated Property |
| η | 0.0010105 | Pa×s | 336.48 | Calculated Property |
| η | 0.0006977 | Pa×s | 363.51 | Calculated Property |
| η | 0.0005071 | Pa×s | 390.53 | Calculated Property |
| η | 0.0003841 | Pa×s | 417.55 | Calculated Property |
| η | 0.0003009 | Pa×s | 444.57 | Calculated Property |
| η | 0.0002424 | Pa×s | 471.60 | Calculated Property |
| η | 0.0001999 | Pa×s | 498.62 | Calculated Property |
| η | 0.0001682 | Pa×s | 525.64 | Calculated Property |
Similar Compounds
Find more compounds similar to (4-Methylphenyl) methanol, 2-methylbutyl ether.
Sources
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