- InChI
- InChI=1S/C12H14/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h7-8H,1-6H2
- InChI Key
- CGIPSWGAIQVCNY-UHFFFAOYSA-N
- Formula
- C12H14
- SMILES
- c1cc2c(c3c1CCC3)CCC2
- Molecular Weight1
- 158.24
- CAS
- 1076-17-1
- Other Names
-
- As-Indacene,1,2,3,6,7,8-hexahydro-
- 1,2,3,6,7,8-Hexahydro-cis-indacene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | 270.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 97.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.01 | kJ/mol | Joback Calculated Property |
| IE | [8.09; 8.66] | eV |
|
| IE | 8.09 | eV | NIST |
| IE | 8.66 ± 0.02 | eV | NIST |
| log10WS | -3.63 | Crippen Calculated Property | |
| logPoct/wat | 2.664 | Crippen Calculated Property | |
| McVol | 134.460 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Tboil | 538.40 | K | Joback Calculated Property |
| Tc | 774.59 | K | Joback Calculated Property |
| Tfus | 333.34 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.68; 400.68] | J/mol×K | [538.40; 774.59] |
|
| Cp,gas | 316.68 | J/mol×K | 538.40 | Joback Calculated Property |
| Cp,gas | 333.56 | J/mol×K | 577.77 | Joback Calculated Property |
| Cp,gas | 349.13 | J/mol×K | 617.13 | Joback Calculated Property |
| Cp,gas | 363.50 | J/mol×K | 656.50 | Joback Calculated Property |
| Cp,gas | 376.80 | J/mol×K | 695.86 | Joback Calculated Property |
| Cp,gas | 389.15 | J/mol×K | 735.23 | Joback Calculated Property |
| Cp,gas | 400.68 | J/mol×K | 774.59 | Joback Calculated Property |
| η | [0.0007272; 0.0017806] | Pa×s | [333.34; 538.40] |
|
| η | 0.0017806 | Pa×s | 333.34 | Joback Calculated Property |
| η | 0.0014309 | Pa×s | 367.52 | Joback Calculated Property |
| η | 0.0011935 | Pa×s | 401.69 | Joback Calculated Property |
| η | 0.0010242 | Pa×s | 435.87 | Joback Calculated Property |
| η | 0.0008987 | Pa×s | 470.05 | Joback Calculated Property |
| η | 0.0008027 | Pa×s | 504.22 | Joback Calculated Property |
| η | 0.0007272 | Pa×s | 538.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,6,7,8-Hexahydro-as-indacene.
Sources
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