- InChI
- InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h1-6H2
- InChI Key
- AMBNQWVPTPHADI-UHFFFAOYSA-N
- Formula
- C9H12
- SMILES
- C=C1CCC(=C)C(=C)C1
- Molecular Weight1
- 120.19
- CAS
- 14296-81-2
- 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).
- 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° | 216.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 98.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.839 | Crippen Calculated Property | |
| McVol | 113.910 | ml/mol | McGowan Calculated Property |
| Pc | 3131.49 | kPa | Joback Calculated Property |
| I | 1297.00 | NIST | |
| Tboil | 427.02 | K | Joback Calculated Property |
| Tc | 632.01 | K | Joback Calculated Property |
| Tfus | 243.85 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.04; 285.83] | J/mol×K | [427.02; 632.01] | 
|
| Cp,gas | 214.04 | J/mol×K | 427.02 | Joback Calculated Property |
| Cp,gas | 227.49 | J/mol×K | 461.18 | Joback Calculated Property |
| Cp,gas | 240.33 | J/mol×K | 495.35 | Joback Calculated Property |
| Cp,gas | 252.57 | J/mol×K | 529.51 | Joback Calculated Property |
| Cp,gas | 264.23 | J/mol×K | 563.68 | Joback Calculated Property |
| Cp,gas | 275.31 | J/mol×K | 597.84 | Joback Calculated Property |
| Cp,gas | 285.83 | J/mol×K | 632.01 | Joback Calculated Property |
| η | [0.0002813; 0.0018559] | Pa×s | [243.85; 427.02] |
|
| η | 0.0018559 | Pa×s | 243.85 | Joback Calculated Property |
| η | 0.0011377 | Pa×s | 274.38 | Joback Calculated Property |
| η | 0.0007692 | Pa×s | 304.91 | Joback Calculated Property |
| η | 0.0005585 | Pa×s | 335.44 | Joback Calculated Property |
| η | 0.0004277 | Pa×s | 365.96 | Joback Calculated Property |
| η | 0.0003413 | Pa×s | 396.49 | Joback Calculated Property |
| η | 0.0002813 | Pa×s | 427.02 | Joback Calculated Property |
Similar Compounds
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Sources
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