- InChI
- InChI=1S/C21H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21-18-20-22-4-2/h3-21H2,1-2H3
- InChI Key
- JHCSLWDHWPAAFF-UHFFFAOYSA-N
- Formula
- C21H44O2
- SMILES
- CCCCCCCCCCCCCCCCOCCCOCC
- 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).
- 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 | 0.9822 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.911 | Crippen Calculated Property | |
| McVol | 318.490 | ml/mol | McGowan Calculated Property |
| Pc | 936.35 | kPa | Joback Calculated Property |
| Inp | [2176.00; 2176.00] |
|
|
| Inp | 2176.00 | NIST | |
| Inp | 2176.00 | NIST | |
| Tboil | 603.73 | K | Relay (1.0) Calculated Property |
| Tc | 774.88 | K | Relay (1.0) Calculated Property |
| Tfus | 272.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.263 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.78; 1139.74] | 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 | 3.47990e+01 | |||
| Coefficient B | 1.87244e+00 | |||
| Coefficient C | -8.96600e-04 | |||
| Coefficient D | 1.29100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 481.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 590.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 689.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 779.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 859.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 931.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 994.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1050.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1098.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1139.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013998; 0.0000877] | Pa×s | [370.89; 624.15] |
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 | -1.33982e+01 | |||
| Coefficient B | 2.53198e+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. | 370.89 | |||
| Temperature range, max. | 624.15 | |||
| η | 0.0013998 | Pa×s | 370.89 | Calculated Property |
| η | 0.0008649 | Pa×s | 399.03 | Calculated Property |
| η | 0.0005694 | Pa×s | 427.17 | Calculated Property |
| η | 0.0003948 | Pa×s | 455.31 | Calculated Property |
| η | 0.0002856 | Pa×s | 483.45 | Calculated Property |
| η | 0.0002141 | Pa×s | 511.59 | Calculated Property |
| η | 0.0001654 | Pa×s | 539.73 | Calculated Property |
| η | 0.0001311 | Pa×s | 567.87 | Calculated Property |
| η | 0.0001062 | Pa×s | 596.01 | Calculated Property |
| η | 0.0000877 | Pa×s | 624.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl hexadecyl ether.
Sources
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