- InChI
- InChI=1S/C11H22O/c1-5-7-8-10(9(3)4)11(12)6-2/h9-10H,5-8H2,1-4H3/t10-/m0/s1
- InChI Key
- SKCLEFRJISVUAH-JTQLQIEISA-N
- Formula
- C11H22O
- SMILES
- CCCCC(C(=O)CC)C(C)C
- Molecular Weight1
- 170.29
- 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° | -92.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 3.428 | Crippen Calculated Property | |
| McVol | 167.420 | ml/mol | McGowan Calculated Property |
| Pc | 2075.54 | kPa | Joback Calculated Property |
| Inp | [1159.00; 1159.00] |
|
|
| Inp | 1159.00 | NIST | |
| Inp | 1159.00 | NIST | |
| I | [1420.00; 1420.00] |
|
|
| I | 1420.00 | NIST | |
| I | 1420.00 | NIST | |
| Tboil | 504.07 | K | Joback Calculated Property |
| Tc | 682.49 | K | Joback Calculated Property |
| Tfus | 233.66 | K | Joback Calculated Property |
| Vc | 0.645 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.60; 474.62] | J/mol×K | [504.07; 682.49] |
|
| Cp,gas | 388.60 | J/mol×K | 504.07 | Joback Calculated Property |
| Cp,gas | 404.59 | J/mol×K | 533.81 | Joback Calculated Property |
| Cp,gas | 419.89 | J/mol×K | 563.54 | Joback Calculated Property |
| Cp,gas | 434.53 | J/mol×K | 593.28 | Joback Calculated Property |
| Cp,gas | 448.52 | J/mol×K | 623.02 | Joback Calculated Property |
| Cp,gas | 461.88 | J/mol×K | 652.75 | Joback Calculated Property |
| Cp,gas | 474.62 | J/mol×K | 682.49 | Joback Calculated Property |
| η | [0.0002241; 0.0103191] | Pa×s | [233.66; 504.07] |
|
| η | 0.0103191 | Pa×s | 233.66 | Joback Calculated Property |
| η | 0.0032535 | Pa×s | 278.73 | Joback Calculated Property |
| η | 0.0014145 | Pa×s | 323.80 | Joback Calculated Property |
| η | 0.0007538 | Pa×s | 368.87 | Joback Calculated Property |
| η | 0.0004607 | Pa×s | 413.93 | Joback Calculated Property |
| η | 0.0003102 | Pa×s | 459.00 | Joback Calculated Property |
| η | 0.0002241 | Pa×s | 504.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (1R,4R)-(+)-isomenthone.
Sources
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