- InChI
- InChI=1S/C31H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-30(32)28-23-20-21-24-29(28)31(33)35-26-27(5-2)6-3/h20-21,27-29H,4-19,22-26H2,1-3H3
- InChI Key
- CEJQKBPYFOWEKI-UHFFFAOYSA-N
- Formula
- C31H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C1CC=CC
C1C(=O)OCC(CC)CC - Molecular Weight1
- 492.77
- 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° | -213.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1086.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.94 | kJ/mol | Joback Calculated Property |
| log10WS | -9.55 | Crippen Calculated Property | |
| logPoct/wat | 8.963 | Crippen Calculated Property | |
| McVol | 447.370 | ml/mol | McGowan Calculated Property |
| Pc | 662.21 | kPa | Joback Calculated Property |
| Inp | 3347.00 | NIST | |
| Tboil | 1074.86 | K | Joback Calculated Property |
| Tc | 1334.18 | K | Joback Calculated Property |
| Tfus | 572.35 | K | Joback Calculated Property |
| Vc | 1.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1636.73; 1723.04] | J/mol×K | [1074.86; 1334.18] | 
|
| Cp,gas | 1636.73 | J/mol×K | 1074.86 | Joback Calculated Property |
| Cp,gas | 1657.29 | J/mol×K | 1118.08 | Joback Calculated Property |
| Cp,gas | 1675.23 | J/mol×K | 1161.30 | Joback Calculated Property |
| Cp,gas | 1690.68 | J/mol×K | 1204.52 | Joback Calculated Property |
| Cp,gas | 1703.72 | J/mol×K | 1247.74 | Joback Calculated Property |
| Cp,gas | 1714.47 | J/mol×K | 1290.96 | Joback Calculated Property |
| Cp,gas | 1723.04 | J/mol×K | 1334.18 | Joback Calculated Property |
| η | [0.0000136; 0.0003004] | Pa×s | [572.35; 1074.86] |
|
| η | 0.0003004 | Pa×s | 572.35 | Joback Calculated Property |
| η | 0.0001291 | Pa×s | 656.10 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 739.85 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 823.61 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 907.36 | Joback Calculated Property |
| η | 0.0000184 | Pa×s | 991.11 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 1074.86 | Joback Calculated Property |
Similar Compounds
Sources
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