- InChI
- InChI=1S/C17H26O2/c1-11-13-9-15(3,10-14(11)19-12(2)18)17(5)8-6-7-16(13,17)4/h13-14H,1,6-10H2,2-5H3/t13?,14-,15+,16+,17-/m0/s1
- InChI Key
- PLOQFTYPCAOTDW-BRNHUXAOSA-N
- Formula
- C17H26O2
- SMILES
-
C=C1C(OC(C)=O)CC2(C)CC1C1(C)CC
CC21C - Molecular Weight1
- 262.39
- Other Names
-
- (-)-4«beta»-Acetoxygymnomitr-3(15)-ene
- 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 | 0.4442 | Relay (1.0) Calculated Property | |
| ΔfG° | 37.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.101 | Crippen Calculated Property | |
| McVol | 220.950 | ml/mol | McGowan Calculated Property |
| Pc | 1930.44 | kPa | Joback Calculated Property |
| Inp | [1723.00; 1723.00] |
|
|
| Inp | 1723.00 | NIST | |
| Inp | 1723.00 | NIST | |
| Tboil | 557.34 | K | Relay (1.0) Calculated Property |
| Tc | 817.33 | K | Relay (1.0) Calculated Property |
| Tfus | 385.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.97; 792.00] | J/mol×K | [683.95; 912.08] |
|
| Cp,gas | 663.97 | J/mol×K | 683.95 | Joback Calculated Property |
| Cp,gas | 685.40 | J/mol×K | 721.97 | Joback Calculated Property |
| Cp,gas | 706.28 | J/mol×K | 759.99 | Joback Calculated Property |
| Cp,gas | 726.99 | J/mol×K | 798.01 | Joback Calculated Property |
| Cp,gas | 747.92 | J/mol×K | 836.04 | Joback Calculated Property |
| Cp,gas | 769.46 | J/mol×K | 874.06 | Joback Calculated Property |
| Cp,gas | 792.00 | J/mol×K | 912.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4«beta»-Acetoxygymnomitr-3(15)-ene.
Sources
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