- InChI
- InChI=1S/C17H28O4/c1-13(2)7-6-8-16(12-21-15(5)18)9-10-20-17(19)11-14(3)4/h7,9,14H,6,8,10-12H2,1-5H3/b16-9+
- InChI Key
- WYNIMBPRCCVMCX-CXUHLZMHSA-N
- Formula
- C17H28O4
- SMILES
-
CC(=O)OCC(=CCOC(=O)CC(C)C)CCC=
C(C)C - 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.
- I : 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 | 0.6875 | Relay (1.0) Calculated Property | |
| ΔfG° | -234.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -865.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.812 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Inp | [1783.00; 1783.00] |
|
|
| Inp | 1783.00 | NIST | |
| Inp | 1783.00 | NIST | |
| I | [2347.00; 2347.00] |
|
|
| I | 2347.00 | NIST | |
| I | 2347.00 | NIST | |
| Tboil | 568.64 | K | Relay (1.0) Calculated Property |
| Tc | 741.39 | K | Relay (1.0) Calculated Property |
| Tfus | 238.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.12; 829.00] | J/mol×K | [748.58; 939.77] |
|
| Cp,gas | 743.12 | J/mol×K | 748.58 | Joback Calculated Property |
| Cp,gas | 759.56 | J/mol×K | 780.44 | Joback Calculated Property |
| Cp,gas | 775.10 | J/mol×K | 812.31 | Joback Calculated Property |
| Cp,gas | 789.79 | J/mol×K | 844.17 | Joback Calculated Property |
| Cp,gas | 803.65 | J/mol×K | 876.04 | Joback Calculated Property |
| Cp,gas | 816.70 | J/mol×K | 907.90 | Joback Calculated Property |
| Cp,gas | 829.00 | J/mol×K | 939.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Acetoxyneryl isobutyrate.
Sources
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