- InChI
- InChI=1S/C33H68O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-35-33-30-32-34-4-2/h3-33H2,1-2H3
- InChI Key
- ATIZFDSCPHCBMK-UHFFFAOYSA-N
- Formula
- C33H68O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC
CCOCC - Molecular Weight1
- 496.89
- 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 | 1.4031 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -977.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 83.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 163.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.592 | Crippen Calculated Property | |
| McVol | 487.570 | ml/mol | McGowan Calculated Property |
| Pc | 511.87 | kPa | Joback Calculated Property |
| Inp | [3357.00; 3357.00] |
|
|
| Inp | 3357.00 | NIST | |
| Inp | 3357.00 | NIST | |
| Tboil | 678.55 | K | Relay (1.0) Calculated Property |
| Tc | 851.17 | K | Relay (1.0) Calculated Property |
| Tfus | 306.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.925 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.34; 1758.83] | 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 | 2.38910e+01 | |||
| Coefficient B | 3.01244e+00 | |||
| Coefficient C | -1.54940e-03 | |||
| Coefficient D | 2.71900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 736.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 907.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1062.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1202.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1326.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1437.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1535.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1620.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1694.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1758.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002924; 0.0000131] | Pa×s | [506.13; 886.16] |
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 | -1.53726e+01 | |||
| Coefficient B | 3.66190e+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. | 506.13 | |||
| Temperature range, max. | 886.16 | |||
| η | 0.0002924 | Pa×s | 506.13 | Calculated Property |
| η | 0.0001675 | Pa×s | 548.36 | Calculated Property |
| η | 0.0001039 | Pa×s | 590.58 | Calculated Property |
| η | 0.0000687 | Pa×s | 632.81 | Calculated Property |
| η | 0.0000478 | Pa×s | 675.03 | Calculated Property |
| η | 0.0000348 | Pa×s | 717.26 | Calculated Property |
| η | 0.0000262 | Pa×s | 759.48 | Calculated Property |
| η | 0.0000203 | Pa×s | 801.71 | Calculated Property |
| η | 0.0000162 | Pa×s | 843.93 | Calculated Property |
| η | 0.0000131 | Pa×s | 886.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl octacosyl ether.
Sources
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