- InChI
- InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h5,10-14H,6-9H2,1-4H3
- InChI Key
- HCUUTQZQMTWYDE-UHFFFAOYSA-N
- Formula
- C16H26O
- SMILES
- CC1CCC2C(C)(C)CC=CC2(C)C1CC=O
- Molecular Weight1
- 234.38
- 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 | 0.3891 | Relay (... Calculated Property | |
| ΔfG° | 53.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.61 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | Relay (... Calculated Property |
| log10WS | -4.73 | Relay (... Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 211.850 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| I | [2415.00; 2415.00] |
|
|
| I | 2415.00 | NIST | |
| I | 2415.00 | NIST | |
| Tboil | 562.79 | K | Relay (... Calculated Property |
| Tc | 790.66 | K | Relay (... Calculated Property |
| Tfus | 302.59 | K | Relay (... Calculated Property |
| Vc | 0.700 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.78; 727.02] | J/mol×K | [630.33; 852.28] |
|
| Cp,gas | 603.78 | J/mol×K | 630.33 | Joback Calculated Property |
| Cp,gas | 626.52 | J/mol×K | 667.32 | Joback Calculated Property |
| Cp,gas | 648.07 | J/mol×K | 704.31 | Joback Calculated Property |
| Cp,gas | 668.65 | J/mol×K | 741.31 | Joback Calculated Property |
| Cp,gas | 688.52 | J/mol×K | 778.30 | Joback Calculated Property |
| Cp,gas | 707.89 | J/mol×K | 815.29 | Joback Calculated Property |
| Cp,gas | 727.02 | J/mol×K | 852.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to octahydro-2,5,5,8a-tetramethyl-1-naphthylacetaldehyde.
Sources
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