- InChI
- InChI=1S/C17H24O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-7,14H,8-10H2,1-5H3
- InChI Key
- JBIUFFGIDNZYFQ-UHFFFAOYSA-N
- Formula
- C17H24O2
- SMILES
-
CC(=O)OC(C)(C)C1CCc2c(C)ccc(C)
c2C1 - Molecular Weight1
- 260.37
- CAS
- 61263-48-7
- ω : Acentric Factor.
- 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).
- 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 | 0.5740 | Relay (1.0) Calculated Property | |
| ΔfG° | -6.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.750 | Crippen Calculated Property | |
| McVol | 223.210 | ml/mol | McGowan Calculated Property |
| Pc | 1820.06 | kPa | Joback Calculated Property |
| Inp | [1974.00; 1974.00] |
|
|
| Inp | 1974.00 | NIST | |
| Inp | 1974.00 | NIST | |
| Tboil | 598.35 | K | Relay (1.0) Calculated Property |
| Tc | 827.01 | K | Relay (1.0) Calculated Property |
| Tfus | 333.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.801 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.26; 739.17] | J/mol×K | [714.05; 937.42] |
|
| Cp,gas | 644.26 | J/mol×K | 714.05 | Joback Calculated Property |
| Cp,gas | 662.99 | J/mol×K | 751.28 | Joback Calculated Property |
| Cp,gas | 680.46 | J/mol×K | 788.51 | Joback Calculated Property |
| Cp,gas | 696.75 | J/mol×K | 825.73 | Joback Calculated Property |
| Cp,gas | 711.92 | J/mol×K | 862.96 | Joback Calculated Property |
| Cp,gas | 726.04 | J/mol×K | 900.19 | Joback Calculated Property |
| Cp,gas | 739.17 | J/mol×K | 937.42 | Joback Calculated Property |
| η | [0.0001794; 0.0011893] | Pa×s | [434.33; 714.05] |
|
| η | 0.0011893 | Pa×s | 434.33 | Joback Calculated Property |
| η | 0.0007448 | Pa×s | 480.95 | Joback Calculated Property |
| η | 0.0005066 | Pa×s | 527.57 | Joback Calculated Property |
| η | 0.0003669 | Pa×s | 574.19 | Joback Calculated Property |
| η | 0.0002789 | Pa×s | 620.81 | Joback Calculated Property |
| η | 0.0002203 | Pa×s | 667.43 | Joback Calculated Property |
| η | 0.0001794 | Pa×s | 714.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Occidol acetate.
Sources
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