- InChI
- InChI=1S/C17H26O2/c1-12-6-9-15(3)10-14(12)17(11-19-13(2)18)8-5-7-16(15,17)4/h14H,1,5-11H2,2-4H3/t14-,15-,16-,17-/m1/s1
- InChI Key
- ZLCSCWKWOJMNOO-QBPKDAKJSA-N
- Formula
- C17H26O2
- SMILES
-
C=C1CCC2(C)CC1C1(COC(C)=O)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 | 0.4555 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.102 | Crippen Calculated Property | |
| McVol | 220.950 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | 1794.00 | NIST | |
| Tboil | 583.25 | K | Relay (1.0) Calculated Property |
| Tc | 824.95 | K | Relay (1.0) Calculated Property |
| Tfus | 380.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.767 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.88; 788.31] | J/mol×K | [688.62; 916.67] | 
|
| Cp,gas | 661.88 | J/mol×K | 688.62 | Joback Calculated Property |
| Cp,gas | 682.85 | J/mol×K | 726.63 | Joback Calculated Property |
| Cp,gas | 703.33 | J/mol×K | 764.64 | Joback Calculated Property |
| Cp,gas | 723.72 | J/mol×K | 802.65 | Joback Calculated Property |
| Cp,gas | 744.42 | J/mol×K | 840.65 | Joback Calculated Property |
| Cp,gas | 765.82 | J/mol×K | 878.66 | Joback Calculated Property |
| Cp,gas | 788.31 | J/mol×K | 916.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-12-Acetoxygymnomitr-3(15)-ene.
Sources
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