- InChI
- InChI=1S/C10H20O/c1-9(2)6-4-3-5-7-10-8-11-10/h9-10H,3-8H2,1-2H3
- InChI Key
- NBADXIBTCPFODP-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CC(C)CCCCCC1CO1
- Molecular Weight1
- 156.27
- 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).
- 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 | 0.5068 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.992 | Crippen Calculated Property | |
| McVol | 146.770 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | 1177.00 | NIST | |
| Tboil | 473.65 | K | Relay (1.0) Calculated Property |
| Tc | 658.80 | K | Relay (1.0) Calculated Property |
| Tfus | 232.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.22; 535.03] | 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 | -4.08050e+01 | |||
| Coefficient B | 1.10764e+00 | |||
| Coefficient C | -7.29700e-04 | |||
| Coefficient D | 1.97900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 268.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 318.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 363.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 402.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 435.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 465.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 491.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 514.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 535.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037662; 0.0004681] | Pa×s | [231.97; 448.93] |
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 | -9.89642e+00 | |||
| Coefficient B | 1.00089e+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. | 231.97 | |||
| Temperature range, max. | 448.93 | |||
| η | 0.0037662 | Pa×s | 231.97 | Calculated Property |
| η | 0.0025090 | Pa×s | 256.08 | Calculated Property |
| η | 0.0017925 | Pa×s | 280.18 | Calculated Property |
| η | 0.0013507 | Pa×s | 304.29 | Calculated Property |
| η | 0.0010609 | Pa×s | 328.40 | Calculated Property |
| η | 0.0008613 | Pa×s | 352.50 | Calculated Property |
| η | 0.0007182 | Pa×s | 376.61 | Calculated Property |
| η | 0.0006121 | Pa×s | 400.72 | Calculated Property |
| η | 0.0005312 | Pa×s | 424.82 | Calculated Property |
| η | 0.0004681 | Pa×s | 448.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Epoxy-8-methylnonane.
Sources
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