- InChI
- InChI=1S/C12H12O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h3-7,13H,1-2H3
- InChI Key
- ZMYBSCDKKBZCTM-UHFFFAOYSA-N
- Formula
- C12H12O
- SMILES
- Cc1cc(C)c2cccc(O)c2c1
- Molecular Weight1
- 172.22
- CAS
- 31706-76-0
- Other Names
-
- 5,7-Dimethyl-1-naphthol
- 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 | 0.5967 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.162 | Crippen Calculated Property | |
| McVol | 142.590 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Inp | [1586.00; 1586.00] |
|
|
| Inp | 1586.00 | NIST | |
| Inp | 1586.00 | NIST | |
| Tboil | 568.97 | K | Relay (1.0) Calculated Property |
| Tc | 843.36 | K | Relay (1.0) Calculated Property |
| Tfus | 375.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.78; 445.45] | 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 | -5.36900e+01 | |||
| Coefficient B | 1.09684e+00 | |||
| Coefficient C | -9.19200e-04 | |||
| Coefficient D | 3.21500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 341.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 367.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 389.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 409.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 427.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 445.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007218; 0.0000585] | Pa×s | [420.88; 596.92] |
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 | -1.57552e+01 | |||
| Coefficient B | 3.58648e+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. | 420.88 | |||
| Temperature range, max. | 596.92 | |||
| η | 0.0007218 | Pa×s | 420.88 | Calculated Property |
| η | 0.0004944 | Pa×s | 440.44 | Calculated Property |
| η | 0.0003497 | Pa×s | 460.00 | Calculated Property |
| η | 0.0002544 | Pa×s | 479.56 | Calculated Property |
| η | 0.0001898 | Pa×s | 499.12 | Calculated Property |
| η | 0.0001447 | Pa×s | 518.68 | Calculated Property |
| η | 0.0001126 | Pa×s | 538.24 | Calculated Property |
| η | 0.0000891 | Pa×s | 557.80 | Calculated Property |
| η | 0.0000717 | Pa×s | 577.36 | Calculated Property |
| η | 0.0000585 | Pa×s | 596.92 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthol, 5,7-dimethyl-.
Sources
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