- InChI
- InChI=1S/C37H76O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-39-37-34-36-38-4-2/h3-37H2,1-2H3
- InChI Key
- OXRUMAJOYXFQNW-UHFFFAOYSA-N
- Formula
- C37H76O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCOCCCOCC - Molecular Weight1
- 553.00
- 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 | 1.5433 | Relay (1.0) Calculated Property | |
| ΔfG° | 50.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1059.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 93.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 182.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.152 | Crippen Calculated Property | |
| McVol | 543.930 | ml/mol | McGowan Calculated Property |
| Pc | 433.31 | kPa | Joback Calculated Property |
| Inp | [3751.00; 3751.00] |
|
|
| Inp | 3751.00 | NIST | |
| Inp | 3751.00 | NIST | |
| Tboil | 703.31 | K | Relay (1.0) Calculated Property |
| Tc | 872.91 | K | Relay (1.0) Calculated Property |
| Tfus | 312.60 | K | Relay (1.0) Calculated Property |
| Vc | 2.143 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.20; 1965.20] | 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 | 2.02550e+01 | |||
| Coefficient B | 3.39244e+00 | |||
| Coefficient C | -1.76700e-03 | |||
| Coefficient D | 3.19500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 821.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1013.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1187.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1342.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1482.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1606.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1715.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1810.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1893.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1965.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001609; 0.0000059] | Pa×s | [551.21; 1006.43] |
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 | -1.60616e+01 | |||
| Coefficient B | 4.03854e+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. | 551.21 | |||
| Temperature range, max. | 1006.43 | |||
| η | 0.0001609 | Pa×s | 551.21 | Calculated Property |
| η | 0.0000869 | Pa×s | 601.79 | Calculated Property |
| η | 0.0000516 | Pa×s | 652.37 | Calculated Property |
| η | 0.0000331 | Pa×s | 702.95 | Calculated Property |
| η | 0.0000225 | Pa×s | 753.53 | Calculated Property |
| η | 0.0000161 | Pa×s | 804.11 | Calculated Property |
| η | 0.0000119 | Pa×s | 854.69 | Calculated Property |
| η | 0.0000092 | Pa×s | 905.27 | Calculated Property |
| η | 0.0000072 | Pa×s | 955.85 | Calculated Property |
| η | 0.0000059 | Pa×s | 1006.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl dotriacontyl ether.
Sources
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