- InChI
- InChI=1S/C11H14O/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-6,8-9H,7H2,1-2H3/t8-,9-/m1/s1
- InChI Key
- AIODYCJUHTYCEB-RKDXNWHRSA-N
- Formula
- C11H14O
- SMILES
- CC1Cc2ccccc2C(C)O1
- Molecular Weight1
- 162.23
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 99.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.709 | Crippen Calculated Property | |
| McVol | 137.100 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Inp | [1256.60; 1256.60] |
|
|
| Inp | 1256.60 | NIST | |
| Inp | 1256.60 | NIST | |
| I | 1728.80 | NIST | |
| Tboil | 516.03 | K | Joback Calculated Property |
| Tc | 742.26 | K | Joback Calculated Property |
| Tfus | 289.42 | K | Joback Calculated Property |
| Vc | 0.512 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.39; 408.03] | J/mol×K | [516.03; 742.26] |
|
| Cp,gas | 318.39 | J/mol×K | 516.03 | Joback Calculated Property |
| Cp,gas | 335.94 | J/mol×K | 553.74 | Joback Calculated Property |
| Cp,gas | 352.37 | J/mol×K | 591.44 | Joback Calculated Property |
| Cp,gas | 367.75 | J/mol×K | 629.15 | Joback Calculated Property |
| Cp,gas | 382.12 | J/mol×K | 666.85 | Joback Calculated Property |
| Cp,gas | 395.53 | J/mol×K | 704.56 | Joback Calculated Property |
| Cp,gas | 408.03 | J/mol×K | 742.26 | Joback Calculated Property |
| η | [0.0003951; 0.0018157] | Pa×s | [289.42; 516.03] |
|
| η | 0.0018157 | Pa×s | 289.42 | Joback Calculated Property |
| η | 0.0012161 | Pa×s | 327.19 | Joback Calculated Property |
| η | 0.0008849 | Pa×s | 364.96 | Joback Calculated Property |
| η | 0.0006835 | Pa×s | 402.73 | Joback Calculated Property |
| η | 0.0005518 | Pa×s | 440.49 | Joback Calculated Property |
| η | 0.0004608 | Pa×s | 478.26 | Joback Calculated Property |
| η | 0.0003951 | Pa×s | 516.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-dimethyl-isochroman, 1a', 3e.
Sources
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