- InChI
- InChI=1S/C19H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21-19-16-18-20-4-2/h3-19H2,1-2H3
- InChI Key
- WCQUANOJDBCKLD-UHFFFAOYSA-N
- Formula
- C19H40O2
- SMILES
- CCCCCCCCCCCCCCOCCCOCC
- Molecular Weight1
- 300.52
- 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 | 0.9120 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.131 | Crippen Calculated Property | |
| McVol | 290.310 | ml/mol | McGowan Calculated Property |
| Pc | 1056.88 | kPa | Joback Calculated Property |
| Inp | [1976.00; 1976.00] |
|
|
| Inp | 1976.00 | NIST | |
| Inp | 1976.00 | NIST | |
| Tboil | 590.17 | K | Relay (1.0) Calculated Property |
| Tc | 758.24 | K | Relay (1.0) Calculated Property |
| Tfus | 263.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.150 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.35; 1036.56] | 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 | 3.66170e+01 | |||
| Coefficient B | 1.68244e+00 | |||
| Coefficient C | -7.87800e-04 | |||
| Coefficient D | 1.05300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 439.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 537.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 627.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 708.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 781.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 847.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 904.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 955.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 999.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1036.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017266; 0.0001104] | Pa×s | [348.35; 589.16] |
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 | -1.30895e+01 | |||
| Coefficient B | 2.34366e+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. | 348.35 | |||
| Temperature range, max. | 589.16 | |||
| η | 0.0017266 | Pa×s | 348.35 | Calculated Property |
| η | 0.0010685 | Pa×s | 375.11 | Calculated Property |
| η | 0.0007049 | Pa×s | 401.86 | Calculated Property |
| η | 0.0004898 | Pa×s | 428.62 | Calculated Property |
| η | 0.0003552 | Pa×s | 455.38 | Calculated Property |
| η | 0.0002669 | Pa×s | 482.14 | Calculated Property |
| η | 0.0002067 | Pa×s | 508.89 | Calculated Property |
| η | 0.0001643 | Pa×s | 535.65 | Calculated Property |
| η | 0.0001334 | Pa×s | 562.41 | Calculated Property |
| η | 0.0001104 | Pa×s | 589.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl tetradecyl ether.
Sources
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