- InChI
- InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+
- InChI Key
- KFHRKQVLZRJWNB-OBHWEXPVSA-N
- Formula
- C20H32
- SMILES
-
C=CC(C)=CCC=C(C)CCC=C(C)CCC=C(
C)C - Molecular Weight1
- 272.47
- CAS
- 77898-97-6
- Other Names
-
- (3E,6E,10E)-3,7,11,15-Tetramethyl-1,3,6,10,14-hexadecapentaene
- (E,E,E)- «alpha»-Springene
- «alpha»-Springene
- 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 | 0.4762 | Relay (... Calculated Property | |
| ΔfG° | 492.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -65.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.59 | kJ/mol | Relay (... Calculated Property |
| IE | 7.77 | eV | Relay (... Calculated Property |
| log10WS | -6.76 | Relay (... Calculated Property | |
| logPoct/wat | 6.928 | Crippen Calculated Property | |
| McVol | 271.160 | ml/mol | McGowan Calculated Property |
| Pc | 1215.74 | kPa | Joback Calculated Property |
| Inp | [1969.10; 2019.00] |
|
|
| Inp | 2013.00 | NIST | |
| Inp | 1969.10 | NIST | |
| Inp | 2019.00 | NIST | |
| Tboil | 586.06 | K | Relay (... Calculated Property |
| Tc | 742.30 | K | Relay (... Calculated Property |
| Tfus | 239.72 | K | Relay (... Calculated Property |
| Vc | 0.945 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.70; 836.63] | J/mol×K | [669.84; 860.07] |
|
| Cp,gas | 731.70 | J/mol×K | 669.84 | Joback Calculated Property |
| Cp,gas | 751.44 | J/mol×K | 701.55 | Joback Calculated Property |
| Cp,gas | 770.17 | J/mol×K | 733.25 | Joback Calculated Property |
| Cp,gas | 787.96 | J/mol×K | 764.96 | Joback Calculated Property |
| Cp,gas | 804.92 | J/mol×K | 796.66 | Joback Calculated Property |
| Cp,gas | 821.11 | J/mol×K | 828.37 | Joback Calculated Property |
| Cp,gas | 836.63 | J/mol×K | 860.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene.
Sources
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