- InChI
- InChI=1S/C23H48O/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-24-22-20-18-8-6-4-2/h3-23H2,1-2H3
- InChI Key
- HMGCKWQTUDCOLH-UHFFFAOYSA-N
- Formula
- C23H48O
- SMILES
- CCCCCCCCCCCCCCCCOCCCCCCC
- Molecular Weight1
- 340.64
- 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).
- Inp : Non-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 | 1.0263 | Relay (1.0) Calculated Property | |
| ΔfG° | 37.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.455 | Crippen Calculated Property | |
| McVol | 340.800 | ml/mol | McGowan Calculated Property |
| Pc | 843.58 | kPa | Joback Calculated Property |
| Inp | [2365.00; 2365.00] |
|
|
| Inp | 2365.00 | NIST | |
| Inp | 2365.00 | NIST | |
| Tboil | 603.70 | K | Relay (1.0) Calculated Property |
| Tc | 784.84 | K | Relay (1.0) Calculated Property |
| Tfus | 288.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.360 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.80; 1224.42] | 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 | 7.48100e+00 | |||
| Coefficient B | 2.12564e+00 | |||
| Coefficient C | -1.11640e-03 | |||
| Coefficient D | 2.07700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 508.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 628.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 737.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 834.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 921.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 999.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1067.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1127.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1179.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1224.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017041; 0.0000887] | Pa×s | [371.20; 642.55] |
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 | -1.33742e+01 | |||
| Coefficient B | 2.59821e+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. | 371.20 | |||
| Temperature range, max. | 642.55 | |||
| η | 0.0017041 | Pa×s | 371.20 | Calculated Property |
| η | 0.0010073 | Pa×s | 401.35 | Calculated Property |
| η | 0.0006408 | Pa×s | 431.50 | Calculated Property |
| η | 0.0004324 | Pa×s | 461.65 | Calculated Property |
| η | 0.0003062 | Pa×s | 491.80 | Calculated Property |
| η | 0.0002257 | Pa×s | 521.95 | Calculated Property |
| η | 0.0001720 | Pa×s | 552.10 | Calculated Property |
| η | 0.0001348 | Pa×s | 582.25 | Calculated Property |
| η | 0.0001082 | Pa×s | 612.40 | Calculated Property |
| η | 0.0000887 | Pa×s | 642.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl hexadecyl ether.
Sources
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