- InChI
- InChI=1S/C17H28O4/c1-9-6-14(20-10(2)18)15-11(9)7-12-13(19)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11?,12+,13?,14?,15?,17-/m0/s1
- InChI Key
- KSJYGLBFXLTFDO-UUUUAQTGSA-N
- Formula
- C17H28O4
- SMILES
-
CC(=O)OC1CC(C)C2CC3C(O)CC(C)(O
C3(C)C)C12 - Molecular Weight1
- 296.40
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6220 | Relay (... Calculated Property | |
| ΔfG° | -268.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -2.50 | Relay (... Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 236.990 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 1972.00 | NIST | |
| Tboil | 596.94 | K | Relay (... Calculated Property |
| Tc | 861.73 | K | Relay (... Calculated Property |
| Tfus | 410.12 | K | Relay (... Calculated Property |
| Vc | 0.879 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [812.96; 937.14] | J/mol×K | [793.94; 1004.15] | 
|
| Cp,gas | 812.96 | J/mol×K | 793.94 | Joback Calculated Property |
| Cp,gas | 833.77 | J/mol×K | 828.97 | Joback Calculated Property |
| Cp,gas | 854.26 | J/mol×K | 864.01 | Joback Calculated Property |
| Cp,gas | 874.64 | J/mol×K | 899.04 | Joback Calculated Property |
| Cp,gas | 895.11 | J/mol×K | 934.08 | Joback Calculated Property |
| Cp,gas | 915.87 | J/mol×K | 969.11 | Joback Calculated Property |
| Cp,gas | 937.14 | J/mol×K | 1004.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Kessoglycyl monoacetate.
Sources
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