- InChI
- InChI=1S/C22H44N2O2/c1-3-5-7-15-19-23-21(25)17-13-11-9-10-12-14-18-22(26)24-20-16-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26)
- InChI Key
- ANLFZJDBTDDXJA-UHFFFAOYSA-N
- Formula
- C22H44N2O2
- SMILES
-
CCCCCCNC(=O)CCCCCCCCC(=O)NCCCC
CC - Molecular Weight1
- 368.60
- CAS
- 31827-03-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 1.1396 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.500 | Crippen Calculated Property | |
| McVol | 343.940 | ml/mol | McGowan Calculated Property |
| Pc | 990.13 | kPa | Joback Calculated Property |
| Tboil | 633.02 | K | Relay (1.0) Calculated Property |
| Tc | 867.17 | K | Relay (1.0) Calculated Property |
| Tfus | 415.00 ± 1.00 | K | NIST |
| Vc | 1.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1158.95; 1256.36] | J/mol×K | [910.84; 1115.72] | 
|
| Cp,gas | 1158.95 | J/mol×K | 910.84 | Joback Calculated Property |
| Cp,gas | 1177.98 | J/mol×K | 944.99 | Joback Calculated Property |
| Cp,gas | 1195.82 | J/mol×K | 979.13 | Joback Calculated Property |
| Cp,gas | 1212.51 | J/mol×K | 1013.28 | Joback Calculated Property |
| Cp,gas | 1228.12 | J/mol×K | 1047.43 | Joback Calculated Property |
| Cp,gas | 1242.72 | J/mol×K | 1081.57 | Joback Calculated Property |
| Cp,gas | 1256.36 | J/mol×K | 1115.72 | Joback Calculated Property |
| Cp,solid | 1064.10 | J/mol×K | 408.00 | NIST |
| ΔfusH | [53.56; 53.68] | kJ/mol | [415.00; 415.00] |
|
| ΔfusH | 53.56 | kJ/mol | 415.00 | NIST |
| ΔfusH | 53.68 | kJ/mol | 415.00 | NIST |
| ΔfusS | 129.30 | J/mol×K | 415.00 | NIST |
Similar Compounds
Find more compounds similar to N,N'-Di-n-hexylsebacamide.
Sources
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