- InChI
- InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
- InChI Key
- JDCKKTBNCHNHRR-BQYQJAHWSA-N
- Formula
- C11H22O
- SMILES
- CCCCC/C=C/C(C)CCO
- Molecular Weight1
- 170.30
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6813 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.141 | Crippen Calculated Property | |
| McVol | 167.420 | ml/mol | McGowan Calculated Property |
| Pc | 2220.80 | kPa | Joback Calculated Property |
| Inp | [1283.00; 1283.00] |
|
|
| Inp | 1283.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Tboil | 501.04 | K | Relay (1.0) Calculated Property |
| Tc | 688.96 | K | Relay (1.0) Calculated Property |
| Tfus | 234.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.02; 575.46] | 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 | -1.76840e+01 | |||
| Coefficient B | 1.10874e+00 | |||
| Coefficient C | -6.92000e-04 | |||
| Coefficient D | 1.76400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 295.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 434.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 470.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 501.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 529.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 553.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 575.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0524726; 0.0001380] | Pa×s | [254.47; 499.80] |
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 | -1.50505e+01 | |||
| Coefficient B | 3.07985e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 254.47 | |||
| Temperature range, max. | 499.80 | |||
| η | 0.0524726 | Pa×s | 254.47 | Calculated Property |
| η | 0.0162690 | Pa×s | 281.73 | Calculated Property |
| η | 0.0062019 | Pa×s | 308.99 | Calculated Property |
| η | 0.0027643 | Pa×s | 336.25 | Calculated Property |
| η | 0.0013909 | Pa×s | 363.50 | Calculated Property |
| η | 0.0007702 | Pa×s | 390.76 | Calculated Property |
| η | 0.0004607 | Pa×s | 418.02 | Calculated Property |
| η | 0.0002934 | Pa×s | 445.28 | Calculated Property |
| η | 0.0001969 | Pa×s | 472.54 | Calculated Property |
| η | 0.0001380 | Pa×s | 499.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyldec-4-en-1-ol.
Sources
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