- InChI
- InChI=1S/C29H60O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29-30-28-26-24-8-6-4-2/h3-29H2,1-2H3
- InChI Key
- LIMCJTPRXZHVLO-UHFFFAOYSA-N
- Formula
- C29H60O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOCCCCCCC
- Molecular Weight1
- 424.79
- 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 | 1.2369 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.795 | Crippen Calculated Property | |
| McVol | 425.340 | ml/mol | McGowan Calculated Property |
| Pc | 619.10 | kPa | Joback Calculated Property |
| Inp | 2966.00 | NIST | |
| Tboil | 641.10 | K | Relay (1.0) Calculated Property |
| Tc | 822.54 | K | Relay (1.0) Calculated Property |
| Tfus | 303.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.692 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1451.52; 1588.20] | J/mol×K | [885.54; 1091.23] | 
|
| Cp,gas | 1451.52 | J/mol×K | 885.54 | Joback Calculated Property |
| Cp,gas | 1478.03 | J/mol×K | 919.82 | Joback Calculated Property |
| Cp,gas | 1502.95 | J/mol×K | 954.10 | Joback Calculated Property |
| Cp,gas | 1526.37 | J/mol×K | 988.38 | Joback Calculated Property |
| Cp,gas | 1548.33 | J/mol×K | 1022.67 | Joback Calculated Property |
| Cp,gas | 1568.92 | J/mol×K | 1056.95 | Joback Calculated Property |
| Cp,gas | 1588.20 | J/mol×K | 1091.23 | Joback Calculated Property |
| η | [0.0000209; 0.0007935] | Pa×s | [438.82; 885.54] |
|
| η | 0.0007935 | Pa×s | 438.82 | Joback Calculated Property |
| η | 0.0002789 | Pa×s | 513.27 | Joback Calculated Property |
| η | 0.0001278 | Pa×s | 587.73 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 662.18 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 736.63 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 811.09 | Joback Calculated Property |
| η | 0.0000209 | Pa×s | 885.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosyl heptyl ether.
Sources
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