- InChI
- InChI=1S/C20H42O/c1-3-5-7-9-11-12-13-14-16-18-20-21-19-17-15-10-8-6-4-2/h3-20H2,1-2H3
- InChI Key
- MMMPXNOKIZOWHM-UHFFFAOYSA-N
- Formula
- C20H42O
- SMILES
- CCCCCCCCCCCCOCCCCCCCC
- Molecular Weight1
- 298.55
- CAS
- 36339-51-2
- 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 | 0.9209 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.284 | Crippen Calculated Property | |
| McVol | 298.530 | ml/mol | McGowan Calculated Property |
| Pc | 1004.62 | kPa | Joback Calculated Property |
| Tboil | 628.20 ± 2.00 | K | NIST |
| Tc | 763.63 | K | Relay (1.0) Calculated Property |
| Tfus | 279.00 ± 1.50 | K | NIST |
| Vc | 1.191 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.16; 1069.65] | 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 | 1.02080e+01 | |||
| Coefficient B | 1.84064e+00 | |||
| Coefficient C | -9.53200e-04 | |||
| Coefficient D | 1.72000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 445.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 549.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 644.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 729.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 805.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 872.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 932.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 984.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1030.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1069.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0099624; 0.0001260] | Pa×s | [279.00; 589.26] |
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 | -1.29090e+01 | |||
| Coefficient B | 2.31573e+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. | 279.00 | |||
| Temperature range, max. | 589.26 | |||
| η | 0.0099624 | Pa×s | 279.00 | Calculated Property |
| η | 0.0039989 | Pa×s | 313.47 | Calculated Property |
| η | 0.0019234 | Pa×s | 347.95 | Calculated Property |
| η | 0.0010557 | Pa×s | 382.42 | Calculated Property |
| η | 0.0006398 | Pa×s | 416.89 | Calculated Property |
| η | 0.0004186 | Pa×s | 451.37 | Calculated Property |
| η | 0.0002909 | Pa×s | 485.84 | Calculated Property |
| η | 0.0002121 | Pa×s | 520.31 | Calculated Property |
| η | 0.0001609 | Pa×s | 554.79 | Calculated Property |
| η | 0.0001260 | Pa×s | 589.26 | Calculated Property |
Similar Compounds
Find more compounds similar to dodecyl octyl ether.
Sources
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