- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1354.56; 1482.47] | J/mol×K | [862.20; 1059.05] |
|
| Cp,gas | 1354.56 | J/mol×K | 862.20 | Joback Calculated Property |
| Cp,gas | 1379.42 | J/mol×K | 895.01 | Joback Calculated Property |
| Cp,gas | 1402.81 | J/mol×K | 927.82 | Joback Calculated Property |
| Cp,gas | 1424.77 | J/mol×K | 960.63 | Joback Calculated Property |
| Cp,gas | 1445.33 | J/mol×K | 993.44 | Joback Calculated Property |
| Cp,gas | 1464.55 | J/mol×K | 1026.24 | Joback Calculated Property |
| Cp,gas | 1482.47 | J/mol×K | 1059.05 | Joback Calculated Property |
| η | [0.0000210; 0.0006744] | Pa×s | [438.51; 862.20] |
|
| η | 0.0006744 | Pa×s | 438.51 | Joback Calculated Property |
| η | 0.0002532 | Pa×s | 509.12 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 579.74 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 650.36 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 720.97 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 791.59 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 862.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, docosyl ethyl ether.
Sources
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