- InChI
- InChI=1S/C17H28O/c1-15(2)9-6-10-16(3)13(15)8-11-17(4)14(16)7-5-12-18-17/h5,12-14H,6-11H2,1-4H3/t13?,14?,16-,17+/m0/s1
- InChI Key
- PTSWQZGZSZFGQN-YQEWQEHLSA-N
- Formula
- C17H28O
- SMILES
-
CC1(C)CCCC2(C)C1CCC1(C)OC=CCC1
2 - Molecular Weight1
- 248.40
- 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).
- I : 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 | 0.3545 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.922 | Crippen Calculated Property | |
| McVol | 219.380 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| I | [2302.00; 2302.00] |
|
|
| I | 2302.00 | NIST | |
| I | 2302.00 | NIST | |
| Tboil | 569.95 | K | Relay (1.0) Calculated Property |
| Tc | 811.51 | K | Relay (1.0) Calculated Property |
| Tfus | 313.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.43; 797.27] | J/mol×K | [647.42; 892.92] |
|
| Cp,gas | 651.43 | J/mol×K | 647.42 | Joback Calculated Property |
| Cp,gas | 677.21 | J/mol×K | 688.34 | Joback Calculated Property |
| Cp,gas | 701.77 | J/mol×K | 729.25 | Joback Calculated Property |
| Cp,gas | 725.57 | J/mol×K | 770.17 | Joback Calculated Property |
| Cp,gas | 749.09 | J/mol×K | 811.09 | Joback Calculated Property |
| Cp,gas | 772.84 | J/mol×K | 852.00 | Joback Calculated Property |
| Cp,gas | 797.27 | J/mol×K | 892.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8 «alpha»,13-epoxy-14,15,16-trinorlabd-12-ene.
Sources
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