- 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
- 464.82
- 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° | 139.03 | 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 | 871.02 | K | Relay (1.0) Calculated Property |
| Tfus | 360.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.738 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [664.96; 1596.69] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.05730e+01 | |||
| Coefficient B | 2.89284e+00 | |||
| Coefficient C | -1.62520e-03 | |||
| Coefficient D | 3.39620e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 664.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 824.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 967.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1095.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1208.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1308.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1395.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1472.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1539.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1596.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004684; 0.0000307] | Pa×s | [538.99; 890.23] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.45714e+01 | |||
| Coefficient B | 3.72178e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 538.99 | |||
| Temperature range, max. | 890.23 | |||
| η | 0.0004684 | Pa×s | 538.99 | Calculated Property |
| η | 0.0002938 | Pa×s | 578.02 | Calculated Property |
| η | 0.0001955 | Pa×s | 617.04 | Calculated Property |
| η | 0.0001366 | Pa×s | 656.07 | Calculated Property |
| η | 0.0000993 | Pa×s | 695.10 | Calculated Property |
| η | 0.0000747 | Pa×s | 734.12 | Calculated Property |
| η | 0.0000579 | Pa×s | 773.15 | Calculated Property |
| η | 0.0000459 | Pa×s | 812.18 | Calculated Property |
| η | 0.0000372 | Pa×s | 851.20 | Calculated Property |
| η | 0.0000307 | Pa×s | 890.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Hentriacontane-6,8-dione.
Sources
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