- InChI
- InChI=1S/C31H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(33)29-30(32)27-25-6-4-2/h3-29H2,1-2H3
- InChI Key
- NOFCXTKFVIBXKH-UHFFFAOYSA-N
- Formula
- C31H60O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC
(=O)CCCCC - Molecular Weight1
- 464.81
- 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 | 1.3032 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.697 | Crippen Calculated Property | |
| McVol | 450.790 | ml/mol | McGowan Calculated Property |
| Pc | 604.28 | kPa | Joback Calculated Property |
| Inp | [3402.80; 3402.80] |
|
|
| Inp | 3402.80 | NIST | |
| Inp | 3402.80 | NIST | |
| Tboil | 666.93 | K | Relay (1.0) Calculated Property |
| Tc | 868.36 | K | Relay (1.0) Calculated Property |
| Tfus | 366.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.737 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1607.38; 1738.33] | J/mol×K | [1016.42; 1271.51] |
|
| Cp,gas | 1607.38 | J/mol×K | 1016.42 | Joback Calculated Property |
| Cp,gas | 1633.62 | J/mol×K | 1058.93 | Joback Calculated Property |
| Cp,gas | 1657.89 | J/mol×K | 1101.45 | Joback Calculated Property |
| Cp,gas | 1680.34 | J/mol×K | 1143.96 | Joback Calculated Property |
| Cp,gas | 1701.12 | J/mol×K | 1186.48 | Joback Calculated Property |
| Cp,gas | 1720.40 | J/mol×K | 1228.99 | Joback Calculated Property |
| Cp,gas | 1738.33 | J/mol×K | 1271.51 | Joback Calculated Property |
| η | [0.0000183; 0.0004684] | Pa×s | [538.99; 1016.42] |
|
| η | 0.0004684 | Pa×s | 538.99 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 618.56 | Joback Calculated Property |
| η | 0.0000970 | Pa×s | 698.13 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 777.70 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 857.28 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 936.85 | Joback Calculated Property |
| η | 0.0000183 | Pa×s | 1016.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hentriacontane-6,8-dione.
Sources
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