- InChI
- InChI=1S/C35H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-37-35-32-34-36-4-2/h3-35H2,1-2H3
- InChI Key
- TXXXKIKIOHIGPF-UHFFFAOYSA-N
- Formula
- C35H72O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OCCCOCC - Molecular Weight1
- 524.96
- 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 | 1.4732 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1018.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 88.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 173.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.372 | Crippen Calculated Property | |
| McVol | 515.750 | ml/mol | McGowan Calculated Property |
| Pc | 470.13 | kPa | Joback Calculated Property |
| Inp | [3554.00; 3554.00] |
|
|
| Inp | 3554.00 | NIST | |
| Inp | 3554.00 | NIST | |
| Tboil | 690.93 | K | Relay (1.0) Calculated Property |
| Tc | 862.16 | K | Relay (1.0) Calculated Property |
| Tfus | 309.52 | K | Relay (1.0) Calculated Property |
| Vc | 2.034 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.77; 1862.01] | 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 | 2.20730e+01 | |||
| Coefficient B | 3.20244e+00 | |||
| Coefficient C | -1.65820e-03 | |||
| Coefficient D | 2.95700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 778.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 960.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1124.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1272.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1404.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1521.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1625.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1715.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1794.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1862.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002176; 0.0000089] | Pa×s | [528.67; 943.36] |
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 | -1.57157e+01 | |||
| Coefficient B | 3.85022e+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. | 528.67 | |||
| Temperature range, max. | 943.36 | |||
| η | 0.0002176 | Pa×s | 528.67 | Calculated Property |
| η | 0.0001214 | Pa×s | 574.75 | Calculated Property |
| η | 0.0000738 | Pa×s | 620.82 | Calculated Property |
| η | 0.0000481 | Pa×s | 666.90 | Calculated Property |
| η | 0.0000331 | Pa×s | 712.98 | Calculated Property |
| η | 0.0000239 | Pa×s | 759.05 | Calculated Property |
| η | 0.0000178 | Pa×s | 805.13 | Calculated Property |
| η | 0.0000138 | Pa×s | 851.21 | Calculated Property |
| η | 0.0000109 | Pa×s | 897.28 | Calculated Property |
| η | 0.0000089 | Pa×s | 943.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl triacontyl ether.
Sources
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