- InChI
- InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-21-18-15-16-19-22-20/h20H,2-19H2,1H3
- InChI Key
- QZZVQKZZBUCTHK-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCCCCCCCCCC1OCCCCO1
- Molecular Weight1
- 312.53
- CAS
- 41563-29-5
- 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).
- 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 | 0.8256 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.621 | Crippen Calculated Property | |
| McVol | 293.540 | ml/mol | McGowan Calculated Property |
| Pc | 1168.02 | kPa | Joback Calculated Property |
| Tboil | 620.23 | K | Relay (1.0) Calculated Property |
| Tc | 807.68 | K | Relay (1.0) Calculated Property |
| Tfus | 299.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.137 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.47; 1077.04] | 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 | -5.13760e+01 | |||
| Coefficient B | 2.01032e+00 | |||
| Coefficient C | -1.07100e-03 | |||
| Coefficient D | 1.89100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 421.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 534.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 635.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 726.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 806.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 877.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 939.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 992.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1038.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1077.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030626; 0.0001040] | Pa×s | [372.16; 643.55] |
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 | -1.38093e+01 | |||
| Coefficient B | 2.98502e+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. | 372.16 | |||
| Temperature range, max. | 643.55 | |||
| η | 0.0030626 | Pa×s | 372.16 | Calculated Property |
| η | 0.0016788 | Pa×s | 402.31 | Calculated Property |
| η | 0.0010008 | Pa×s | 432.47 | Calculated Property |
| η | 0.0006382 | Pa×s | 462.62 | Calculated Property |
| η | 0.0004300 | Pa×s | 492.78 | Calculated Property |
| η | 0.0003032 | Pa×s | 522.93 | Calculated Property |
| η | 0.0002221 | Pa×s | 553.09 | Calculated Property |
| η | 0.0001680 | Pa×s | 583.24 | Calculated Property |
| η | 0.0001307 | Pa×s | 613.40 | Calculated Property |
| η | 0.0001040 | Pa×s | 643.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxepane, 2-pentadecyl-.
Sources
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