- InChI
- InChI=1S/C27H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h3-25H2,1-2H3
- InChI Key
- YAMQASNSNZBZPD-UHFFFAOYSA-N
- Formula
- C27H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC
(C)=O - Molecular Weight1
- 408.70
- CAS
- 112468-39-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -81.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.19 | kJ/mol | Joback Calculated Property |
| log10WS | -9.68 | Crippen Calculated Property | |
| logPoct/wat | 9.137 | Crippen Calculated Property | |
| McVol | 394.430 | ml/mol | McGowan Calculated Property |
| Pc | 736.82 | kPa | Joback Calculated Property |
| Inp | [3028.50; 3028.50] |
|
|
| Inp | 3028.50 | NIST | |
| Inp | 3028.50 | NIST | |
| Tboil | 924.90 | K | Joback Calculated Property |
| Tc | 1136.76 | K | Joback Calculated Property |
| Tfus | 493.91 | K | Joback Calculated Property |
| Vc | 1.560 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1344.12; 1459.59] | J/mol×K | [924.90; 1136.76] |
|
| Cp,gas | 1344.12 | J/mol×K | 924.90 | Joback Calculated Property |
| Cp,gas | 1366.64 | J/mol×K | 960.21 | Joback Calculated Property |
| Cp,gas | 1387.74 | J/mol×K | 995.52 | Joback Calculated Property |
| Cp,gas | 1407.51 | J/mol×K | 1030.83 | Joback Calculated Property |
| Cp,gas | 1426.03 | J/mol×K | 1066.14 | Joback Calculated Property |
| Cp,gas | 1443.36 | J/mol×K | 1101.45 | Joback Calculated Property |
| Cp,gas | 1459.59 | J/mol×K | 1136.76 | Joback Calculated Property |
| η | [0.0000341; 0.0007997] | Pa×s | [493.91; 924.90] |
|
| η | 0.0007997 | Pa×s | 493.91 | Joback Calculated Property |
| η | 0.0003384 | Pa×s | 565.74 | Joback Calculated Property |
| η | 0.0001739 | Pa×s | 637.57 | Joback Calculated Property |
| η | 0.0001022 | Pa×s | 709.40 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 781.24 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 853.07 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 924.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosane-2,4-dione.
Sources
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