- InChI
- InChI=1S/C31H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-31(32)30-27-24-23-25-28-30/h23-25,27-28H,2-22,26,29H2,1H3
- InChI Key
- XEJNCYYPJMMJGL-UHFFFAOYSA-N
- Formula
- C31H54O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)
c1ccccc1 - Molecular Weight1
- 458.76
- CAS
- 103569-99-9
- 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° | 88.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.03 | kJ/mol | Joback Calculated Property |
| log10WS | -11.34 | Crippen Calculated Property | |
| logPoct/wat | 10.445 | Crippen Calculated Property | |
| McVol | 431.330 | ml/mol | McGowan Calculated Property |
| Pc | 686.37 | kPa | Joback Calculated Property |
| Inp | [3459.50; 3459.50] |
|
|
| Inp | 3459.50 | NIST | |
| Inp | 3459.50 | NIST | |
| Tboil | 1011.65 | K | Joback Calculated Property |
| Tc | 1247.46 | K | Joback Calculated Property |
| Tfus | 537.71 | K | Joback Calculated Property |
| Vc | 1.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1514.65; 1625.98] | J/mol×K | [1011.65; 1247.46] |
|
| Cp,gas | 1514.65 | J/mol×K | 1011.65 | Joback Calculated Property |
| Cp,gas | 1537.12 | J/mol×K | 1050.95 | Joback Calculated Property |
| Cp,gas | 1557.87 | J/mol×K | 1090.25 | Joback Calculated Property |
| Cp,gas | 1577.01 | J/mol×K | 1129.55 | Joback Calculated Property |
| Cp,gas | 1594.67 | J/mol×K | 1168.86 | Joback Calculated Property |
| Cp,gas | 1610.95 | J/mol×K | 1208.16 | Joback Calculated Property |
| Cp,gas | 1625.98 | J/mol×K | 1247.46 | Joback Calculated Property |
| η | [0.0000149; 0.0003525] | Pa×s | [537.71; 1011.65] |
|
| η | 0.0003525 | Pa×s | 537.71 | Joback Calculated Property |
| η | 0.0001484 | Pa×s | 616.70 | Joback Calculated Property |
| η | 0.0000761 | Pa×s | 695.69 | Joback Calculated Property |
| η | 0.0000447 | Pa×s | 774.68 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 853.67 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 932.66 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 1011.65 | Joback Calculated Property |
Similar Compounds
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Sources
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