- InChI
- InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,9H,1,7-8,10H2,2-4H3/b9-6+
- InChI Key
- BWPHCNAZKLXPHW-RMKNXTFCSA-N
- Formula
- C13H20
- SMILES
- C=CC=CC1=C(C)CCCC1(C)C
- Molecular Weight1
- 176.30
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 256.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.48 | Crippen Calculated Property | |
| logPoct/wat | 4.255 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | 1483.00 | NIST | |
| Tboil | 526.59 | K | Joback Calculated Property |
| Tc | 742.08 | K | Joback Calculated Property |
| Tfus | 286.51 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.05; 491.40] | J/mol×K | [526.59; 742.08] | 
|
| Cp,gas | 393.05 | J/mol×K | 526.59 | Joback Calculated Property |
| Cp,gas | 411.99 | J/mol×K | 562.50 | Joback Calculated Property |
| Cp,gas | 429.74 | J/mol×K | 598.42 | Joback Calculated Property |
| Cp,gas | 446.43 | J/mol×K | 634.33 | Joback Calculated Property |
| Cp,gas | 462.18 | J/mol×K | 670.25 | Joback Calculated Property |
| Cp,gas | 477.13 | J/mol×K | 706.16 | Joback Calculated Property |
| Cp,gas | 491.40 | J/mol×K | 742.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to B-Ionene.
Sources
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