- InChI
- InChI=1S/C33H63NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-23-37-32(35)30(24-26(2)3)34(7)33(36)38-31-25-28(6)21-22-29(31)27(4)5/h26-31H,8-25H2,1-7H3
- InChI Key
- LXAXKDHNNFBUEN-UHFFFAOYSA-N
- Formula
- C33H63NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC(C)C)
N(C)C(=O)OC1CC(C)CCC1C(C)C - Molecular Weight1
- 537.86
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -128.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1148.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.05 | kJ/mol | Joback Calculated Property |
| log10WS | -10.06 | Crippen Calculated Property | |
| logPoct/wat | 9.565 | Crippen Calculated Property | |
| McVol | 489.830 | ml/mol | McGowan Calculated Property |
| Pc | 585.42 | kPa | Joback Calculated Property |
| Inp | [3366.00; 3366.00] |
|
|
| Inp | 3366.00 | NIST | |
| Inp | 3366.00 | NIST | |
| Tboil | 1128.35 | K | Joback Calculated Property |
| Tc | 1416.38 | K | Joback Calculated Property |
| Tfus | 592.36 | K | Joback Calculated Property |
| Vc | 1.863 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1849.20; 1926.77] | J/mol×K | [1128.35; 1416.38] |
|
| Cp,gas | 1849.20 | J/mol×K | 1128.35 | Joback Calculated Property |
| Cp,gas | 1870.20 | J/mol×K | 1176.36 | Joback Calculated Property |
| Cp,gas | 1887.75 | J/mol×K | 1224.36 | Joback Calculated Property |
| Cp,gas | 1902.03 | J/mol×K | 1272.37 | Joback Calculated Property |
| Cp,gas | 1913.18 | J/mol×K | 1320.37 | Joback Calculated Property |
| Cp,gas | 1921.37 | J/mol×K | 1368.38 | Joback Calculated Property |
| Cp,gas | 1926.77 | J/mol×K | 1416.38 | Joback Calculated Property |
Similar Compounds
Sources
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