- InChI
- InChI=1S/C27H56O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29-27-24-26-28-4-2/h3-27H2,1-2H3
- InChI Key
- ITIOIGVBVLGYEE-UHFFFAOYSA-N
- Formula
- C27H56O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOCCCOCC
- Molecular Weight1
- 412.73
- 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 | 1.1929 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.252 | Crippen Calculated Property | |
| McVol | 403.030 | ml/mol | McGowan Calculated Property |
| Pc | 676.76 | kPa | Joback Calculated Property |
| Inp | [2771.00; 2771.00] |
|
|
| Inp | 2771.00 | NIST | |
| Inp | 2771.00 | NIST | |
| Tboil | 641.37 | K | Relay (1.0) Calculated Property |
| Tc | 816.21 | K | Relay (1.0) Calculated Property |
| Tfus | 292.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.597 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.06; 1449.29] | 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 | 2.93450e+01 | |||
| Coefficient B | 2.44244e+00 | |||
| Coefficient C | -1.22300e-03 | |||
| Coefficient D | 2.00500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 609.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 749.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 876.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 990.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1093.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1184.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1265.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1335.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1396.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1449.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006744; 0.0000377] | Pa×s | [438.51; 741.34] |
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 | -1.43642e+01 | |||
| Coefficient B | 3.09694e+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. | 438.51 | |||
| Temperature range, max. | 741.34 | |||
| η | 0.0006744 | Pa×s | 438.51 | Calculated Property |
| η | 0.0004077 | Pa×s | 472.16 | Calculated Property |
| η | 0.0002635 | Pa×s | 505.81 | Calculated Property |
| η | 0.0001799 | Pa×s | 539.45 | Calculated Property |
| η | 0.0001284 | Pa×s | 573.10 | Calculated Property |
| η | 0.0000952 | Pa×s | 606.75 | Calculated Property |
| η | 0.0000728 | Pa×s | 640.40 | Calculated Property |
| η | 0.0000572 | Pa×s | 674.04 | Calculated Property |
| η | 0.0000459 | Pa×s | 707.69 | Calculated Property |
| η | 0.0000377 | Pa×s | 741.34 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, docosyl ethyl ether.
Sources
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