- InChI
- InChI=1S/C10H12O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6,11H,1H2,2-3H3
- InChI Key
- HHTWOMMSBMNRKP-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- C=C(C)c1ccc(C)c(O)c1
- Molecular Weight1
- 148.20
- CAS
- 56423-47-3
- Other Names
-
- 8,9-Dehydro-carvacrol
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5551 | Relay (1.0) Calculated Property | |
| ΔfG° | 60.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -86.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.734 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3602.88 | kPa | Joback Calculated Property |
| Inp | 1327.00 | NIST | |
| I | [2408.00; 2432.00] |
|
|
| I | 2408.00 | NIST | |
| I | 2432.00 | NIST | |
| I | 2408.00 | NIST | |
| I | 2432.00 | NIST | |
| Tboil | 511.20 | K | Relay (1.0) Calculated Property |
| Tc | 737.20 | K | Relay (1.0) Calculated Property |
| Tfus | 344.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.22; 357.95] | J/mol×K | [537.04; 765.73] |
|
| Cp,gas | 292.22 | J/mol×K | 537.04 | Joback Calculated Property |
| Cp,gas | 305.19 | J/mol×K | 575.16 | Joback Calculated Property |
| Cp,gas | 317.23 | J/mol×K | 613.27 | Joback Calculated Property |
| Cp,gas | 328.44 | J/mol×K | 651.39 | Joback Calculated Property |
| Cp,gas | 338.90 | J/mol×K | 689.50 | Joback Calculated Property |
| Cp,gas | 348.71 | J/mol×K | 727.62 | Joback Calculated Property |
| Cp,gas | 357.95 | J/mol×K | 765.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-4-isopropenyltoluene (dehydrocarvacrol).
Sources
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