- InChI
- InChI=1S/C16H26O/c1-9(8-17-4)10-5-6-15(2)11-7-12-14(13(10)11)16(12,15)3/h9-14H,5-8H2,1-4H3/t9?,10-,11?,12?,13?,14?,15?,16+/m0/s1
- InChI Key
- GPTFZPFEBLBCNT-HIMZGLRWSA-N
- Formula
- C16H26O
- SMILES
-
COCC(C)C1CCC2(C)C3CC4C(C13)C42
C - Molecular Weight1
- 234.38
- 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).
- Inp : Non-polar retention indices.
- 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° | 209.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 3.587 | Crippen Calculated Property | |
| McVol | 198.730 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Inp | [1583.00; 1583.00] |
|
|
| Inp | 1583.00 | NIST | |
| Inp | 1583.00 | NIST | |
| I | [1849.00; 1849.00] |
|
|
| I | 1849.00 | NIST | |
| I | 1849.00 | NIST | |
| Tboil | 592.35 | K | Joback Calculated Property |
| Tc | 798.96 | K | Joback Calculated Property |
| Tfus | 391.19 | K | Joback Calculated Property |
| Vc | 0.780 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.38; 701.64] | J/mol×K | [592.35; 798.96] |
|
| Cp,gas | 586.38 | J/mol×K | 592.35 | Joback Calculated Property |
| Cp,gas | 608.00 | J/mol×K | 626.79 | Joback Calculated Property |
| Cp,gas | 628.31 | J/mol×K | 661.22 | Joback Calculated Property |
| Cp,gas | 647.55 | J/mol×K | 695.66 | Joback Calculated Property |
| Cp,gas | 666.01 | J/mol×K | 730.09 | Joback Calculated Property |
| Cp,gas | 683.95 | J/mol×K | 764.53 | Joback Calculated Property |
| Cp,gas | 701.64 | J/mol×K | 798.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclocopacamphan-12-yl methyl ether, epimer b.
Sources
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