- InChI
- InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
- InChI Key
- KCKZIWSINLBROE-UHFFFAOYSA-N
- Formula
- C10H10O
- SMILES
- O=C1CCc2ccccc2C1
- Molecular Weight1
- 146.19
- CAS
- 530-93-8
- Other Names
-
- .beta.-tetralone
- 1,2,3,4-Tetrahydro-2-naphthalenone
- 1,2,3,4-tetrahydronaphthalen-2-one
- 2-Tetralone
- 3,4-Dihydro-2(1H)naphthalenone
- 3,4-dihydro-2(1H)-naphthalenone
- «beta»-Tetralone
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4169 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.744 | Crippen Calculated Property | |
| McVol | 118.710 | ml/mol | McGowan Calculated Property |
| Pc | 3722.56 | kPa | Joback Calculated Property |
| Inp | [1503.00; 1503.00] |
|
|
| Inp | 1503.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Tboil | 530.79 | K | Relay (1.0) Calculated Property |
| Tc | 790.07 | K | Relay (1.0) Calculated Property |
| Tfus | 322.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.47; 346.69] | J/mol×K | [543.56; 793.22] |
|
| Cp,gas | 268.47 | J/mol×K | 543.56 | Joback Calculated Property |
| Cp,gas | 284.02 | J/mol×K | 585.17 | Joback Calculated Property |
| Cp,gas | 298.51 | J/mol×K | 626.78 | Joback Calculated Property |
| Cp,gas | 311.99 | J/mol×K | 668.39 | Joback Calculated Property |
| Cp,gas | 324.48 | J/mol×K | 710.00 | Joback Calculated Property |
| Cp,gas | 336.03 | J/mol×K | 751.61 | Joback Calculated Property |
| Cp,gas | 346.69 | J/mol×K | 793.22 | Joback Calculated Property |
| ΔvapH | 73.00 | kJ/mol | 298.15 | Experimental and theoretical thermochemistry of b-tetralone |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [404.20; 411.20] | K | [1.50; 2.10] |
|
| Tboilr | 404.20 | K | 1.50 | NIST |
| Tboilr | 411.20 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 2(1H)-Naphthalenone, 3,4-dihydro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental and theoretical thermochemistry of b-tetralone
- Joback Method
- McGowan Method
- NIST Webbook
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