- InChI
- InChI=1S/C15H26O2/c1-9(2)13(16)17-12-8-11-7-10(3)15(12,6)14(11,4)5/h9-12H,7-8H2,1-6H3/t10-,11-,12?,15-/m0/s1
- InChI Key
- GPEHIMRFBMDMNN-JTHFCNIQSA-N
- Formula
- C15H26O2
- SMILES
-
CC(C)C(=O)OC1CC2CC(C)C1(C)C2(C
)C - Molecular Weight1
- 238.37
- CAS
- 107783-32-4
- 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 | 0.4717 | Relay (... Calculated Property | |
| ΔfG° | -85.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.54 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.02 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -3.79 | Relay (... Calculated Property | |
| logPoct/wat | 3.646 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 1845.16 | kPa | Joback Calculated Property |
| Inp | [1602.00; 1638.00] |
|
|
| Inp | 1638.00 | NIST | |
| Inp | 1602.00 | NIST | |
| Tboil | 509.83 | K | Relay (... Calculated Property |
| Tc | 768.20 | K | Relay (... Calculated Property |
| Tfus | 356.04 | K | Relay (... Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.87; 708.41] | J/mol×K | [622.67; 832.09] |
|
| Cp,gas | 594.87 | J/mol×K | 622.67 | Joback Calculated Property |
| Cp,gas | 615.65 | J/mol×K | 657.57 | Joback Calculated Property |
| Cp,gas | 635.42 | J/mol×K | 692.48 | Joback Calculated Property |
| Cp,gas | 654.38 | J/mol×K | 727.38 | Joback Calculated Property |
| Cp,gas | 672.74 | J/mol×K | 762.28 | Joback Calculated Property |
| Cp,gas | 690.68 | J/mol×K | 797.19 | Joback Calculated Property |
| Cp,gas | 708.41 | J/mol×K | 832.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-hydroxy-Isobornyl Isobutyrate.
Sources
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