- InChI
- InChI=1S/C16H26O2/c1-15(2)9-4-10-16(3)11-5-8-14(17)18-12(11)6-7-13(15)16/h11-13H,4-10H2,1-3H3/t11?,12-,13?,16-/m0/s1
- InChI Key
- TVZBUIHFVNFNKU-UWTNAYQSSA-N
- Formula
- C16H26O2
- SMILES
-
CC1(C)CCCC2(C)C3CCC(=O)OC3CCC1
2 - Molecular Weight1
- 250.38
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -29.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.65 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.935 | Crippen Calculated Property | |
| McVol | 211.160 | ml/mol | McGowan Calculated Property |
| Pc | 2086.93 | kPa | Joback Calculated Property |
| I | 2764.00 | NIST | |
| Tboil | 692.96 | K | Joback Calculated Property |
| Tc | 943.53 | K | Joback Calculated Property |
| Tfus | 440.41 | K | Joback Calculated Property |
| Vc | 0.784 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [664.47; 807.41] | J/mol×K | [692.96; 943.53] | 
|
| Cp,gas | 664.47 | J/mol×K | 692.96 | Joback Calculated Property |
| Cp,gas | 690.07 | J/mol×K | 734.72 | Joback Calculated Property |
| Cp,gas | 714.52 | J/mol×K | 776.48 | Joback Calculated Property |
| Cp,gas | 738.16 | J/mol×K | 818.24 | Joback Calculated Property |
| Cp,gas | 761.30 | J/mol×K | 860.00 | Joback Calculated Property |
| Cp,gas | 784.28 | J/mol×K | 901.76 | Joback Calculated Property |
| Cp,gas | 807.41 | J/mol×K | 943.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8 «alpha»,13-Epoxy-14,15,16-trinorlabdan-13-one.
Sources
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