- InChI
- InChI=1S/C12H22/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,7-10H2,1-4H3
- InChI Key
- RCFYJIGZQAOTFV-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- CC(C)CCC#CCCC(C)C
- Molecular Weight1
- 166.30
- CAS
- 19550-56-2
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4080 | Relay (... Calculated Property | |
| ΔfG° | 248.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.30 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -5.19 | Relay (... Calculated Property | |
| logPoct/wat | 3.862 | Crippen Calculated Property | |
| McVol | 171.340 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Tboil | 461.27 | K | Relay (... Calculated Property |
| Tc | 644.06 | K | Relay (... Calculated Property |
| Tfus | 211.16 | K | Relay (... Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.11; 469.65] | J/mol×K | [482.08; 671.05] | 
|
| Cp,gas | 377.11 | J/mol×K | 482.08 | Joback Calculated Property |
| Cp,gas | 394.32 | J/mol×K | 513.57 | Joback Calculated Property |
| Cp,gas | 410.79 | J/mol×K | 545.07 | Joback Calculated Property |
| Cp,gas | 426.54 | J/mol×K | 576.56 | Joback Calculated Property |
| Cp,gas | 441.58 | J/mol×K | 608.06 | Joback Calculated Property |
| Cp,gas | 455.94 | J/mol×K | 639.55 | Joback Calculated Property |
| Cp,gas | 469.65 | J/mol×K | 671.05 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.00 | K | 2.50 | NIST |
Similar Compounds
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Sources
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