- InChI
- InChI=1S/C10H12O/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3/t8-/m1/s1
- InChI Key
- KFOXDILMEHCWMS-MRVPVSSYSA-N
- Formula
- C10H12O
- SMILES
- CC1COCc2ccccc21
- Molecular Weight1
- 148.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -94.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.320 | Crippen Calculated Property | |
| McVol | 123.010 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [1232.30; 1232.30] |
|
|
| Inp | 1232.30 | NIST | |
| Inp | 1232.30 | NIST | |
| I | [1761.00; 1761.00] |
|
|
| I | 1761.00 | NIST | |
| I | 1761.00 | NIST | |
| Tboil | 500.10 | K | Relay (1.0) Calculated Property |
| Tc | 729.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.94; 414.71] | 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 | -6.38500e+01 | |||
| Coefficient B | 9.53720e-01 | |||
| Coefficient C | -6.44260e-04 | |||
| Coefficient D | 1.69100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 200.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 242.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 279.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 311.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 338.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 362.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 382.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 399.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 414.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022394; 0.0003589] | Pa×s | [282.39; 509.98] |
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 | -1.02044e+01 | |||
| Coefficient B | 1.15860e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 282.39 | |||
| Temperature range, max. | 509.98 | |||
| η | 0.0022394 | Pa×s | 282.39 | Calculated Property |
| η | 0.0015984 | Pa×s | 307.68 | Calculated Property |
| η | 0.0012008 | Pa×s | 332.97 | Calculated Property |
| η | 0.0009393 | Pa×s | 358.25 | Calculated Property |
| η | 0.0007589 | Pa×s | 383.54 | Calculated Property |
| η | 0.0006296 | Pa×s | 408.83 | Calculated Property |
| η | 0.0005338 | Pa×s | 434.12 | Calculated Property |
| η | 0.0004608 | Pa×s | 459.41 | Calculated Property |
| η | 0.0004040 | Pa×s | 484.69 | Calculated Property |
| η | 0.0003589 | Pa×s | 509.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-isochroman,4a'.
Sources
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