- InChI
- InChI=1S/C17H28O2/c1-11(18)19-14-13-12-7-10-17(14,5)16(12,4)9-6-8-15(13,2)3/h12-14H,6-10H2,1-5H3/t12?,13?,14-,16?,17?/m1/s1
- InChI Key
- NVBYJWWRRWURRN-JULPFRMLSA-N
- Formula
- C17H28O2
- SMILES
-
CC(=O)OC1C2C3CCC1(C)C3(C)CCCC2
(C)C - Molecular Weight1
- 264.40
- 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 | 0.4762 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.181 | Crippen Calculated Property | |
| McVol | 225.250 | ml/mol | McGowan Calculated Property |
| Pc | 1845.16 | kPa | Joback Calculated Property |
| Inp | 1679.00 | NIST | |
| Tboil | 556.55 | K | Relay (1.0) Calculated Property |
| Tc | 820.94 | K | Relay (1.0) Calculated Property |
| Tfus | 384.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.49; 825.06] | J/mol×K | [680.12; 906.53] | 
|
| Cp,gas | 690.49 | J/mol×K | 680.12 | Joback Calculated Property |
| Cp,gas | 713.37 | J/mol×K | 717.86 | Joback Calculated Property |
| Cp,gas | 735.56 | J/mol×K | 755.59 | Joback Calculated Property |
| Cp,gas | 757.45 | J/mol×K | 793.33 | Joback Calculated Property |
| Cp,gas | 779.41 | J/mol×K | 831.06 | Joback Calculated Property |
| Cp,gas | 801.82 | J/mol×K | 868.80 | Joback Calculated Property |
| Cp,gas | 825.06 | J/mol×K | 906.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Juniperol acetate.
Sources
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