- 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
- 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 | 0.4824 | Relay (1.0) Calculated Property | |
| ΔfG° | -92.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | Relay (1.0) 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 | 468.68 | K | Relay (1.0) Calculated Property |
| Tc | 658.45 | K | Relay (1.0) Calculated Property |
| Tfus | 245.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.13; 576.92] | 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 | -3.11600e+00 | |||
| Coefficient B | 1.03268e+00 | |||
| Coefficient C | -5.62300e-04 | |||
| Coefficient D | 1.09660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 239.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 296.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 348.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 435.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 472.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 504.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 532.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 556.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 576.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0103191; 0.0002686] | Pa×s | [233.66; 477.93] |
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 | -1.17125e+01 | |||
| Coefficient B | 1.66803e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 233.66 | |||
| Temperature range, max. | 477.93 | |||
| η | 0.0103191 | Pa×s | 233.66 | Calculated Property |
| η | 0.0049090 | Pa×s | 260.80 | Calculated Property |
| η | 0.0026864 | Pa×s | 287.94 | Calculated Property |
| η | 0.0016310 | Pa×s | 315.08 | Calculated Property |
| η | 0.0010718 | Pa×s | 342.23 | Calculated Property |
| η | 0.0007492 | Pa×s | 369.37 | Calculated Property |
| η | 0.0005500 | Pa×s | 396.51 | Calculated Property |
| η | 0.0004200 | Pa×s | 423.65 | Calculated Property |
| η | 0.0003314 | Pa×s | 450.79 | Calculated Property |
| η | 0.0002686 | Pa×s | 477.93 | Calculated Property |
Similar Compounds
Find more compounds similar to (1R,4R)-(+)-isomenthone.
Sources
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