- InChI
- InChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8H,1,7,9H2,2-4H3
- InChI Key
- DDDUDPZNWNWAHI-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- C=CC1(C)CCC=CC1=C(C)C
- Molecular Weight1
- 162.27
- CAS
- 106494-41-1
- 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° | 223.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 28.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.07 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| I | [1490.00; 1493.00] |
|
|
| I | 1490.00 | NIST | |
| I | 1493.00 | NIST | |
| I | 1493.00 | NIST | |
| Tboil | 496.11 | K | Joback Calculated Property |
| Tc | 714.11 | K | Joback Calculated Property |
| Tfus | 251.68 | K | Joback Calculated Property |
| Vc | 0.590 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.69; 440.20] | J/mol×K | [496.11; 714.11] |
|
| Cp,gas | 344.69 | J/mol×K | 496.11 | Joback Calculated Property |
| Cp,gas | 363.35 | J/mol×K | 532.44 | Joback Calculated Property |
| Cp,gas | 380.74 | J/mol×K | 568.78 | Joback Calculated Property |
| Cp,gas | 396.98 | J/mol×K | 605.11 | Joback Calculated Property |
| Cp,gas | 412.22 | J/mol×K | 641.44 | Joback Calculated Property |
| Cp,gas | 426.58 | J/mol×K | 677.78 | Joback Calculated Property |
| Cp,gas | 440.20 | J/mol×K | 714.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isogeijerene C.
Sources
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