- InChI
- InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-2,4,6H,3,5H2
- InChI Key
- LQXUYPKOOOUVJB-UHFFFAOYSA-N
- Formula
- C7H8O
- SMILES
- O=CC1=CC=CCC1
- Molecular Weight1
- 108.14
- 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).
- Inp : Non-polar retention indices.
- 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° | -9.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.63 | Crippen Calculated Property | |
| logPoct/wat | 1.462 | Crippen Calculated Property | |
| McVol | 91.600 | ml/mol | McGowan Calculated Property |
| Pc | 4322.57 | kPa | Joback Calculated Property |
| Inp | 1184.00 | NIST | |
| I | [1603.00; 1649.00] |
|
|
| I | 1649.00 | NIST | |
| I | 1603.00 | NIST | |
| I | 1603.00 | NIST | |
| Tboil | 435.74 | K | Joback Calculated Property |
| Tc | 652.26 | K | Joback Calculated Property |
| Tfus | 236.31 | K | Joback Calculated Property |
| Vc | 0.350 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.33; 228.65] | J/mol×K | [435.74; 652.26] |
|
| Cp,gas | 169.33 | J/mol×K | 435.74 | Joback Calculated Property |
| Cp,gas | 180.86 | J/mol×K | 471.83 | Joback Calculated Property |
| Cp,gas | 191.69 | J/mol×K | 507.91 | Joback Calculated Property |
| Cp,gas | 201.86 | J/mol×K | 544.00 | Joback Calculated Property |
| Cp,gas | 211.39 | J/mol×K | 580.09 | Joback Calculated Property |
| Cp,gas | 220.31 | J/mol×K | 616.18 | Joback Calculated Property |
| Cp,gas | 228.65 | J/mol×K | 652.26 | Joback Calculated Property |
| η | [0.0003166; 0.0038609] | Pa×s | [236.31; 435.74] |
|
| η | 0.0038609 | Pa×s | 236.31 | Joback Calculated Property |
| η | 0.0019681 | Pa×s | 269.55 | Joback Calculated Property |
| η | 0.0011632 | Pa×s | 302.79 | Joback Calculated Property |
| η | 0.0007628 | Pa×s | 336.02 | Joback Calculated Property |
| η | 0.0005397 | Pa×s | 369.26 | Joback Calculated Property |
| η | 0.0004044 | Pa×s | 402.50 | Joback Calculated Property |
| η | 0.0003166 | Pa×s | 435.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclohexadiene-1-carboxaldehyde.
Sources
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