- InChI
- InChI=1S/C42H82O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-39-45-41(43)37-33-29-25-26-30-34-38-42(44)46-40-36-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
- InChI Key
- QTDJUGJAGNDLKQ-UHFFFAOYSA-N
- Formula
- C42H82O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC
C(=O)OCCCCCCCCCCCCCCCC - Molecular Weight1
- 651.10
- CAS
- 26719-48-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -165.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1399.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 110.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 183.80 ± 6.40 | kJ/mol | NIST |
| log10WS | -15.13 | Crippen Calculated Property | |
| logPoct/wat | 14.156 | Crippen Calculated Property | |
| McVol | 617.520 | ml/mol | McGowan Calculated Property |
| Pc | 375.87 | kPa | Joback Calculated Property |
| Tboil | 1312.94 | K | Joback Calculated Property |
| Tc | 1938.48 | K | Joback Calculated Property |
| Tfus | 707.42 | K | Joback Calculated Property |
| Vc | 2.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2401.10; 2526.43] | J/mol×K | [1312.94; 1938.48] | 
|
| Cp,gas | 2401.10 | J/mol×K | 1312.94 | Joback Calculated Property |
| Cp,gas | 2439.19 | J/mol×K | 1417.20 | Joback Calculated Property |
| Cp,gas | 2467.13 | J/mol×K | 1521.45 | Joback Calculated Property |
| Cp,gas | 2487.37 | J/mol×K | 1625.71 | Joback Calculated Property |
| Cp,gas | 2502.37 | J/mol×K | 1729.97 | Joback Calculated Property |
| Cp,gas | 2514.57 | J/mol×K | 1834.22 | Joback Calculated Property |
| Cp,gas | 2526.43 | J/mol×K | 1938.48 | Joback Calculated Property |
| Cp,liquid | 1460.00 | J/mol×K | 353.00 | NIST |
| η | [0.0000015; 0.0000401] | Pa×s | [707.42; 1312.94] |
|
| η | 0.0000401 | Pa×s | 707.42 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 808.34 | Joback Calculated Property |
| η | 0.0000083 | Pa×s | 909.26 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 1010.18 | Joback Calculated Property |
| η | 0.0000031 | Pa×s | 1111.10 | Joback Calculated Property |
| η | 0.0000021 | Pa×s | 1212.02 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 1312.94 | Joback Calculated Property |
| ΔvapH | 149.80 | kJ/mol | 460.00 | NIST |
Similar Compounds
Find more compounds similar to Di-n-hexadecyl sebacate.
Sources
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