- InChI
- InChI=1S/C11H22O2/c1-3-4-5-6-7-11-12-8-10(2)9-13-11/h10-11H,3-9H2,1-2H3/t10-,11-
- InChI Key
- ZOVQWQKIOCKGED-XYPYZODXSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCC[C@H]1OC[C@H](C)CO1
- Molecular Weight1
- 186.30
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 | 0.4626 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6893.00 ± 13.00 | kJ/mol | NIST |
| ΔfG° | -113.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -580.00 ± 13.00 | kJ/mol | NIST |
| ΔfusH° | 33.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.966 | Crippen Calculated Property | |
| McVol | 166.730 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Tboil | 507.40 | K | Relay (1.0) Calculated Property |
| Tc | 682.42 | K | Relay (1.0) Calculated Property |
| Tfus | 238.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | 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 | [237.70; 617.60] | 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 | -3.21350e+01 | |||
| Coefficient B | 1.13844e+00 | |||
| Coefficient C | -5.72400e-04 | |||
| Coefficient D | 8.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 302.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 361.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 413.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 460.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 502.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 538.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 569.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 595.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 617.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055245; 0.0003194] | Pa×s | [270.01; 499.16] |
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 | -1.14077e+01 | |||
| Coefficient B | 1.67652e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 270.01 | |||
| Temperature range, max. | 499.16 | |||
| η | 0.0055245 | Pa×s | 270.01 | Calculated Property |
| η | 0.0032354 | Pa×s | 295.47 | Calculated Property |
| η | 0.0020627 | Pa×s | 320.93 | Calculated Property |
| η | 0.0014050 | Pa×s | 346.39 | Calculated Property |
| η | 0.0010087 | Pa×s | 371.85 | Calculated Property |
| η | 0.0007556 | Pa×s | 397.32 | Calculated Property |
| η | 0.0005860 | Pa×s | 422.78 | Calculated Property |
| η | 0.0004678 | Pa×s | 448.24 | Calculated Property |
| η | 0.0003826 | Pa×s | 473.70 | Calculated Property |
| η | 0.0003194 | Pa×s | 499.16 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Hexyl-5-methyl-1,3-dioxane.
Sources
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