- InChI
- InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-2)22-3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11+
- InChI Key
- WBNMCUYSZJIEFY-QXMHVHEDSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(OC)OC
- Molecular Weight1
- 312.54
- Other Names
-
- Olealdehyde, dimethyl acetal
- 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 | 0.8126 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -631.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.643 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1032.57 | kPa | Joback Calculated Property |
| Inp | [2374.00; 2374.00] |
|
|
| Inp | 2374.00 | NIST | |
| Inp | 2374.00 | NIST | |
| Tboil | 591.38 | K | Relay (1.0) Calculated Property |
| Tc | 766.43 | K | Relay (1.0) Calculated Property |
| Tfus | 243.93 | 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 | [446.25; 1058.10] | 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 | 1.98440e+01 | |||
| Coefficient B | 1.80336e+00 | |||
| Coefficient C | -9.29200e-04 | |||
| Coefficient D | 1.64100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 446.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 548.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 641.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 724.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 799.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 865.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 924.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 975.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1019.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1058.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019341; 0.0000775] | Pa×s | [339.54; 612.30] |
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 | -1.34693e+01 | |||
| Coefficient B | 2.45188e+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. | 339.54 | |||
| Temperature range, max. | 612.30 | |||
| η | 0.0019341 | Pa×s | 339.54 | Calculated Property |
| η | 0.0010703 | Pa×s | 369.85 | Calculated Property |
| η | 0.0006478 | Pa×s | 400.15 | Calculated Property |
| η | 0.0004208 | Pa×s | 430.46 | Calculated Property |
| η | 0.0002893 | Pa×s | 460.77 | Calculated Property |
| η | 0.0002083 | Pa×s | 491.07 | Calculated Property |
| η | 0.0001559 | Pa×s | 521.38 | Calculated Property |
| η | 0.0001204 | Pa×s | 551.69 | Calculated Property |
| η | 0.0000955 | Pa×s | 581.99 | Calculated Property |
| η | 0.0000775 | Pa×s | 612.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Octadecene, 1,1-dimethoxy-, (Z)-.
Sources
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