- InChI
- InChI=1S/C46H90O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-43-49-45(47)41-37-33-29-30-34-38-42-46(48)50-44-40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
- InChI Key
- NTUPDNAURMTJID-UHFFFAOYSA-N
- Formula
- C46H90O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
CCC(=O)OCCCCCCCCCCCCCCCCCC - Molecular Weight1
- 707.20
- CAS
- 3072-03-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 1.9611 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1591.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 120.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 197.70 ± 6.90 | kJ/mol | NIST |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.717 | Crippen Calculated Property | |
| McVol | 673.880 | ml/mol | McGowan Calculated Property |
| Pc | 325.59 | kPa | Joback Calculated Property |
| Tboil | 775.79 | K | Relay (1.0) Calculated Property |
| Tc | 935.26 | K | Relay (1.0) Calculated Property |
| Tfus | 347.76 | K | Relay (1.0) Calculated Property |
| Vc | 2.624 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2667.84; 2890.35] | J/mol×K | [1404.46; 2283.25] | 
|
| Cp,gas | 2667.84 | J/mol×K | 1404.46 | Joback Calculated Property |
| Cp,gas | 2713.41 | J/mol×K | 1550.92 | Joback Calculated Property |
| Cp,gas | 2745.32 | J/mol×K | 1697.39 | Joback Calculated Property |
| Cp,gas | 2771.27 | J/mol×K | 1843.85 | Joback Calculated Property |
| Cp,gas | 2798.95 | J/mol×K | 1990.32 | Joback Calculated Property |
| Cp,gas | 2836.08 | J/mol×K | 2136.78 | Joback Calculated Property |
| Cp,gas | 2890.35 | J/mol×K | 2283.25 | Joback Calculated Property |
| Cp,liquid | 1481.00 | J/mol×K | 353.00 | NIST |
| η | [0.0000008; 0.0000212] | Pa×s | [752.50; 1404.46] |
|
| η | 0.0000212 | Pa×s | 752.50 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 861.16 | Joback Calculated Property |
| η | 0.0000043 | Pa×s | 969.82 | Joback Calculated Property |
| η | 0.0000024 | Pa×s | 1078.48 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 1187.14 | Joback Calculated Property |
| η | 0.0000011 | Pa×s | 1295.80 | Joback Calculated Property |
| η | 0.0000008 | Pa×s | 1404.46 | Joback Calculated Property |
| ΔvapH | 157.50 | kJ/mol | 480.00 | NIST |
Similar Compounds
Find more compounds similar to Di-n-octadecyl sebacate.
Sources
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