- InChI
- InChI=1S/C15H22/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11,14H,1,5-8H2,2-4H3/t11?,14-/m1/s1
- InChI Key
- UYWHJEPHKSZXQH-SBXXRYSUSA-N
- Formula
- C15H22
- SMILES
- C=C(C)C1=CC2=C(C)CCC2C(C)CC1
- Molecular Weight1
- 202.34
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 258.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -35.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| I | [1714.00; 1720.00] |
|
|
| I | 1720.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1720.00 | NIST | |
| Tboil | 582.98 | K | Joback Calculated Property |
| Tc | 803.24 | K | Joback Calculated Property |
| Tfus | 303.97 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.60; 591.50] | J/mol×K | [582.98; 803.24] |
|
| Cp,gas | 481.60 | J/mol×K | 582.98 | Joback Calculated Property |
| Cp,gas | 502.93 | J/mol×K | 619.69 | Joback Calculated Property |
| Cp,gas | 522.97 | J/mol×K | 656.40 | Joback Calculated Property |
| Cp,gas | 541.78 | J/mol×K | 693.11 | Joback Calculated Property |
| Cp,gas | 559.44 | J/mol×K | 729.82 | Joback Calculated Property |
| Cp,gas | 575.99 | J/mol×K | 766.53 | Joback Calculated Property |
| Cp,gas | 591.50 | J/mol×K | 803.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-Guaiadiene.
Sources
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