- InChI
- InChI=1S/C37H64O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(39)40-34-23-22-32-31-21-20-29-28-30(38)24-26-36(29,2)33(31)25-27-37(32,34)3/h29,31-34H,4-28H2,1-3H3/t29-,31?,32?,33?,34+,36-,37-/m1/s1
- InChI Key
- KZAUIRNIQLKHJV-CZSVOGOUSA-N
- Formula
- C37H64O3
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C
3CCC4CC(=O)CCC4(C)C3CCC12C - Molecular Weight1
- 556.90
- 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° | 52.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -959.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.64 | kJ/mol | Joback Calculated Property |
| log10WS | -11.69 | Crippen Calculated Property | |
| logPoct/wat | 10.772 | Crippen Calculated Property | |
| McVol | 497.760 | ml/mol | McGowan Calculated Property |
| Pc | 608.76 | kPa | Joback Calculated Property |
| Inp | 4313.88 | NIST | |
| Tboil | 1224.85 | K | Joback Calculated Property |
| Tc | 1520.00 | K | Joback Calculated Property |
| Tfus | 736.37 | K | Joback Calculated Property |
| Vc | 1.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2133.25; 2538.75] | J/mol×K | [1224.85; 1520.00] | 
|
| Cp,gas | 2133.25 | J/mol×K | 1224.85 | Joback Calculated Property |
| Cp,gas | 2189.93 | J/mol×K | 1274.04 | Joback Calculated Property |
| Cp,gas | 2250.01 | J/mol×K | 1323.23 | Joback Calculated Property |
| Cp,gas | 2314.20 | J/mol×K | 1372.42 | Joback Calculated Property |
| Cp,gas | 2383.25 | J/mol×K | 1421.62 | Joback Calculated Property |
| Cp,gas | 2457.86 | J/mol×K | 1470.81 | Joback Calculated Property |
| Cp,gas | 2538.75 | J/mol×K | 1520.00 | Joback Calculated Property |
Similar Compounds
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Sources
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