- InChI
- InChI=1S/C14H22/c1-10-13(2,3)11-6-8-14(10)7-4-5-12(14)9-11/h5,10-11H,4,6-9H2,1-3H3
- InChI Key
- AHSSPFZOPLOXCJ-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CC1C23CCC=C2CC(CC3)C1(C)C
- Molecular Weight1
- 190.32
- 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 | 0.3030 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.169 | Crippen Calculated Property | |
| McVol | 171.240 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| Inp | 1387.00 | NIST | |
| Tboil | 518.05 | K | Relay (1.0) Calculated Property |
| Tc | 769.36 | K | Relay (1.0) Calculated Property |
| Tfus | 377.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.53; 565.83] | J/mol×K | [548.43; 778.30] | 
|
| Cp,gas | 451.53 | J/mol×K | 548.43 | Joback Calculated Property |
| Cp,gas | 473.78 | J/mol×K | 586.74 | Joback Calculated Property |
| Cp,gas | 494.32 | J/mol×K | 625.05 | Joback Calculated Property |
| Cp,gas | 513.49 | J/mol×K | 663.37 | Joback Calculated Property |
| Cp,gas | 531.58 | J/mol×K | 701.68 | Joback Calculated Property |
| Cp,gas | 548.92 | J/mol×K | 739.99 | Joback Calculated Property |
| Cp,gas | 565.83 | J/mol×K | 778.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nigritene.
Sources
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