- 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
- 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 | 0.3624 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.14 | 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 | 725.58 | K | Relay (1.0) Calculated Property |
| Tfus | 280.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.13; 354.33] | J/mol×K | [497.82; 728.25] |
|
| Cp,gas | 272.13 | J/mol×K | 497.82 | Joback Calculated Property |
| Cp,gas | 288.38 | J/mol×K | 536.23 | Joback Calculated Property |
| Cp,gas | 303.54 | J/mol×K | 574.63 | Joback Calculated Property |
| Cp,gas | 317.65 | J/mol×K | 613.04 | Joback Calculated Property |
| Cp,gas | 330.78 | J/mol×K | 651.44 | Joback Calculated Property |
| Cp,gas | 342.99 | J/mol×K | 689.85 | Joback Calculated Property |
| Cp,gas | 354.33 | J/mol×K | 728.25 | Joback Calculated Property |
| η | [0.0003793; 0.0022394] | Pa×s | [282.39; 497.82] |
|
| η | 0.0022394 | Pa×s | 282.39 | Joback Calculated Property |
| η | 0.0014097 | Pa×s | 318.29 | Joback Calculated Property |
| η | 0.0009747 | Pa×s | 354.20 | Joback Calculated Property |
| η | 0.0007213 | Pa×s | 390.11 | Joback Calculated Property |
| η | 0.0005616 | Pa×s | 426.01 | Joback Calculated Property |
| η | 0.0004546 | Pa×s | 461.91 | Joback Calculated Property |
| η | 0.0003793 | Pa×s | 497.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-isochroman,4a'.
Sources
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