- 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 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.22; 354.41] | J/mol×K | [498.02; 728.55] |
|
| Cp,gas | 272.22 | J/mol×K | 498.02 | Joback Calculated Property |
| Cp,gas | 288.47 | J/mol×K | 536.44 | Joback Calculated Property |
| Cp,gas | 303.63 | J/mol×K | 574.86 | Joback Calculated Property |
| Cp,gas | 317.74 | J/mol×K | 613.28 | Joback Calculated Property |
| Cp,gas | 330.87 | J/mol×K | 651.70 | Joback Calculated Property |
| Cp,gas | 343.07 | J/mol×K | 690.12 | Joback Calculated Property |
| Cp,gas | 354.41 | J/mol×K | 728.55 | Joback Calculated Property |
| η | [0.0003790; 0.0022394] | Pa×s | [282.39; 498.02] |
|
| η | 0.0022394 | Pa×s | 282.39 | Joback Calculated Property |
| η | 0.0014092 | Pa×s | 318.33 | Joback Calculated Property |
| η | 0.0009741 | Pa×s | 354.27 | Joback Calculated Property |
| η | 0.0007208 | Pa×s | 390.20 | Joback Calculated Property |
| η | 0.0005611 | Pa×s | 426.14 | Joback Calculated Property |
| η | 0.0004542 | Pa×s | 462.08 | Joback Calculated Property |
| η | 0.0003790 | Pa×s | 498.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-isochroman,4a'.
Sources
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