- InChI
- InChI=1S/C15H22/c1-9(2)11-7-13-12-5-6-14(13)15(4,8-11)10(12)3/h12-14H,3,5-8H2,1-2,4H3/t12?,13?,14?,15-/m1/s1
- InChI Key
- IDCAKVANYGLTQK-MLGYPOCJSA-N
- Formula
- C15H22
- SMILES
- C=C1C2CCC3C2CC(=C(C)C)CC13C
- Molecular Weight1
- 202.34
- 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 | 0.3053 | Relay (1.0) Calculated Property | |
| ΔfG° | 322.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.335 | Crippen Calculated Property | |
| McVol | 181.030 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [1396.00; 1437.00] |
|
|
| Inp | 1437.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Tboil | 532.72 | K | Relay (1.0) Calculated Property |
| Tc | 760.28 | K | Relay (1.0) Calculated Property |
| Tfus | 344.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.646 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.37; 591.15] | J/mol×K | [568.34; 787.10] |
|
| Cp,gas | 482.37 | J/mol×K | 568.34 | Joback Calculated Property |
| Cp,gas | 503.37 | J/mol×K | 604.80 | Joback Calculated Property |
| Cp,gas | 522.95 | J/mol×K | 641.26 | Joback Calculated Property |
| Cp,gas | 541.33 | J/mol×K | 677.72 | Joback Calculated Property |
| Cp,gas | 558.69 | J/mol×K | 714.18 | Joback Calculated Property |
| Cp,gas | 575.23 | J/mol×K | 750.64 | Joback Calculated Property |
| Cp,gas | 591.15 | J/mol×K | 787.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sativene.
Sources
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