- InChI
- InChI=1S/C21H44O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22-5-2)23-6-3/h21H,4-20H2,1-3H3
- InChI Key
- QJKRDGVHGFTSQL-UHFFFAOYSA-N
- Formula
- C21H44O2
- SMILES
- CCCCCCCCCCCCCCCCC(OCC)OCC
- Molecular Weight1
- 328.58
- 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).
- 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 | 0.9228 | Relay (1.0) Calculated Property | |
| ΔfG° | -86.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.257 | Crippen Calculated Property | |
| McVol | 318.490 | ml/mol | McGowan Calculated Property |
| Pc | 940.95 | kPa | Joback Calculated Property |
| I | [2347.00; 2347.00] |
|
|
| I | 2347.00 | NIST | |
| I | 2347.00 | NIST | |
| Tboil | 597.78 | K | Relay (1.0) Calculated Property |
| Tc | 760.23 | K | Relay (1.0) Calculated Property |
| Tfus | 265.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.249 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.46; 1140.28] | 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 | 3.31170e+01 | |||
| Coefficient B | 1.87836e+00 | |||
| Coefficient C | -8.99800e-04 | |||
| Coefficient D | 1.28600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 481.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 590.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 690.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 779.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 860.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 932.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 995.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1051.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1099.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1140.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018154; 0.0000813] | Pa×s | [355.89; 624.51] |
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 | -1.35322e+01 | |||
| Coefficient B | 2.56980e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 355.89 | |||
| Temperature range, max. | 624.51 | |||
| η | 0.0018154 | Pa×s | 355.89 | Calculated Property |
| η | 0.0010383 | Pa×s | 385.74 | Calculated Property |
| η | 0.0006435 | Pa×s | 415.58 | Calculated Property |
| η | 0.0004252 | Pa×s | 445.43 | Calculated Property |
| η | 0.0002960 | Pa×s | 475.28 | Calculated Property |
| η | 0.0002150 | Pa×s | 505.12 | Calculated Property |
| η | 0.0001619 | Pa×s | 534.97 | Calculated Property |
| η | 0.0001256 | Pa×s | 564.81 | Calculated Property |
| η | 0.0001000 | Pa×s | 594.66 | Calculated Property |
| η | 0.0000813 | Pa×s | 624.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-diethoxyheptadecane.
Sources
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