- InChI
- InChI=1S/C31H64O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-33-31-28-30-32-4-2/h3-31H2,1-2H3
- InChI Key
- JYFLQDVUVLULNX-UHFFFAOYSA-N
- Formula
- C31H64O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCOCCC
OCC - Molecular Weight1
- 468.84
- 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 | 1.3331 | Relay (1.0) Calculated Property | |
| ΔfG° | 0.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 152.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.812 | Crippen Calculated Property | |
| McVol | 459.390 | ml/mol | McGowan Calculated Property |
| Pc | 559.41 | kPa | Joback Calculated Property |
| Inp | [3163.00; 3163.00] |
|
|
| Inp | 3163.00 | NIST | |
| Inp | 3163.00 | NIST | |
| Tboil | 666.18 | K | Relay (1.0) Calculated Property |
| Tc | 837.02 | K | Relay (1.0) Calculated Property |
| Tfus | 305.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.815 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1622.26; 1762.93] | J/mol×K | [953.52; 1191.04] |
|
| Cp,gas | 1622.26 | J/mol×K | 953.52 | Joback Calculated Property |
| Cp,gas | 1650.89 | J/mol×K | 993.11 | Joback Calculated Property |
| Cp,gas | 1677.33 | J/mol×K | 1032.69 | Joback Calculated Property |
| Cp,gas | 1701.66 | J/mol×K | 1072.28 | Joback Calculated Property |
| Cp,gas | 1723.97 | J/mol×K | 1111.87 | Joback Calculated Property |
| Cp,gas | 1744.37 | J/mol×K | 1151.46 | Joback Calculated Property |
| Cp,gas | 1762.93 | J/mol×K | 1191.04 | Joback Calculated Property |
| η | [0.0000113; 0.0003898] | Pa×s | [483.59; 953.52] |
|
| η | 0.0003898 | Pa×s | 483.59 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 561.91 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 640.23 | Joback Calculated Property |
| η | 0.0000372 | Pa×s | 718.56 | Joback Calculated Property |
| η | 0.0000231 | Pa×s | 796.88 | Joback Calculated Property |
| η | 0.0000157 | Pa×s | 875.20 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 953.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl hexacosyl ether.
Sources
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