- InChI
- InChI=1S/C17H26O2/c1-12(18)19-11-13-6-9-15(2)10-14(13)16(3)7-5-8-17(15,16)4/h6,14H,5,7-11H2,1-4H3/t14?,15-,16+,17-/m0/s1
- InChI Key
- RNPCIAPLYQGCAJ-HMQMGEFJSA-N
- Formula
- C17H26O2
- SMILES
-
CC(=O)OCC1=CCC2(C)CC1C1(C)CCCC
21C - Molecular Weight1
- 262.39
- 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 | 0.4513 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.102 | Crippen Calculated Property | |
| McVol | 220.950 | ml/mol | McGowan Calculated Property |
| Pc | 1991.21 | kPa | Joback Calculated Property |
| Inp | [1784.00; 1784.00] |
|
|
| Inp | 1784.00 | NIST | |
| Inp | 1784.00 | NIST | |
| Inp | 1784.00 | NIST | |
| Tboil | 566.62 | K | Relay (1.0) Calculated Property |
| Tc | 824.19 | K | Relay (1.0) Calculated Property |
| Tfus | 384.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.777 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.58; 789.48] | J/mol×K | [693.60; 922.67] |
|
| Cp,gas | 662.58 | J/mol×K | 693.60 | Joback Calculated Property |
| Cp,gas | 683.43 | J/mol×K | 731.78 | Joback Calculated Property |
| Cp,gas | 703.87 | J/mol×K | 769.96 | Joback Calculated Property |
| Cp,gas | 724.29 | J/mol×K | 808.14 | Joback Calculated Property |
| Cp,gas | 745.09 | J/mol×K | 846.31 | Joback Calculated Property |
| Cp,gas | 766.69 | J/mol×K | 884.49 | Joback Calculated Property |
| Cp,gas | 789.48 | J/mol×K | 922.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-15-Acetoxygymnomitr-3-ene.
Sources
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