- InChI
- InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3
- InChI Key
- CLFDIFDNDWRHJF-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- Cc1ccc(C(C)CO)cc1
- Molecular Weight1
- 150.22
- CAS
- 4371-50-0
- Other Names
-
- Cymene-9-ol
- 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.
- I : 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 | 0.6116 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.091 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Inp | [1157.00; 1207.00] |
|
|
| Inp | 1202.00 | NIST | |
| Inp | 1202.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1203.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1202.00 | NIST | |
| Inp | Outlier 1157.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1202.00 | NIST | |
| I | [1880.00; 1962.00] |
|
|
| I | 1962.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1880.00 | NIST | |
| I | 1912.00 | NIST | |
| Tboil | 527.81 | K | Relay (1.0) Calculated Property |
| Tc | 734.49 | K | Relay (1.0) Calculated Property |
| Tfus | 259.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.10; 432.88] | 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 | -2.21990e+01 | |||
| Coefficient B | 8.55340e-01 | |||
| Coefficient C | -5.17960e-04 | |||
| Coefficient D | 1.17700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 175.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 261.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 297.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 328.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 355.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 379.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 400.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 417.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 432.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0140498; 0.0001263] | Pa×s | [287.22; 524.50] |
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 | -1.46809e+01 | |||
| Coefficient B | 2.99161e+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. | 287.22 | |||
| Temperature range, max. | 524.50 | |||
| η | 0.0140498 | Pa×s | 287.22 | Calculated Property |
| η | 0.0058527 | Pa×s | 313.58 | Calculated Property |
| η | 0.0027928 | Pa×s | 339.95 | Calculated Property |
| η | 0.0014824 | Pa×s | 366.31 | Calculated Property |
| η | 0.0008567 | Pa×s | 392.68 | Calculated Property |
| η | 0.0005305 | Pa×s | 419.04 | Calculated Property |
| η | 0.0003476 | Pa×s | 445.41 | Calculated Property |
| η | 0.0002389 | Pa×s | 471.77 | Calculated Property |
| η | 0.0001708 | Pa×s | 498.14 | Calculated Property |
| η | 0.0001263 | Pa×s | 524.50 | Calculated Property |
Similar Compounds
Find more compounds similar to p-Cymen-9-ol.
Sources
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