- InChI
- InChI=1S/C31H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-30(32)28-19-16-17-20-29(28)31(33)35-27-23-25(2)22-26(3)24-27/h25-29H,4-24H2,1-3H3
- InChI Key
- WTXCPTWDTSMILA-UHFFFAOYSA-N
- Formula
- C31H56O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C
(=O)OC1CC(C)CC(C)C1 - 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° | -231.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.84 | kJ/mol | Joback Calculated Property |
| log10WS | -9.46 | Crippen Calculated Property | |
| logPoct/wat | 8.795 | Crippen Calculated Property | |
| McVol | 440.810 | ml/mol | McGowan Calculated Property |
| Pc | 695.81 | kPa | Joback Calculated Property |
| Inp | [3391.00; 3391.00] |
|
|
| Inp | 3391.00 | NIST | |
| Inp | 3391.00 | NIST | |
| Tboil | 1086.35 | K | Joback Calculated Property |
| Tc | 1336.91 | K | Joback Calculated Property |
| Tfus | 585.49 | K | Joback Calculated Property |
| Vc | 1.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1671.31; 1738.62] | J/mol×K | [1086.35; 1336.91] |
|
| Cp,gas | 1671.31 | J/mol×K | 1086.35 | Joback Calculated Property |
| Cp,gas | 1689.63 | J/mol×K | 1128.11 | Joback Calculated Property |
| Cp,gas | 1705.01 | J/mol×K | 1169.87 | Joback Calculated Property |
| Cp,gas | 1717.53 | J/mol×K | 1211.63 | Joback Calculated Property |
| Cp,gas | 1727.26 | J/mol×K | 1253.39 | Joback Calculated Property |
| Cp,gas | 1734.26 | J/mol×K | 1295.15 | Joback Calculated Property |
| Cp,gas | 1738.62 | J/mol×K | 1336.91 | Joback Calculated Property |
| η | [0.0000261; 0.0004021] | Pa×s | [585.49; 1086.35] |
|
| η | 0.0004021 | Pa×s | 585.49 | Joback Calculated Property |
| η | 0.0001919 | Pa×s | 668.97 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 752.44 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 835.92 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 919.40 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 1002.87 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 1086.35 | Joback Calculated Property |
Similar Compounds
Sources
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