- InChI
- InChI=1S/C12H14O/c1-7-2-3-8-9-4-5-10(12(9)13)11(8)6-7/h2-3,6,9-10,12-13H,4-5H2,1H3/t9-,10-,12?/m1/s1
- InChI Key
- ANPDCXWZMJIATJ-UVTZGIPTSA-N
- Formula
- C12H14O
- SMILES
- Cc1ccc2c(c1)C1CCC2C1O
- Molecular Weight1
- 174.24
- CAS
- 16306-85-7
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.5457 | Relay (... Calculated Property | |
| ΔfG° | 132.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 ± 0.02 | eV | NIST |
| log10WS | -2.74 | Relay (... Calculated Property | |
| logPoct/wat | 2.331 | Crippen Calculated Property | |
| McVol | 140.330 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| Tboil | 562.55 | K | Relay (... Calculated Property |
| Tc | 817.69 | K | Relay (... Calculated Property |
| Tfus | 390.78 | K | Relay (... Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.41; 449.42] | J/mol×K | [607.32; 816.51] | 
|
| Cp,gas | 377.41 | J/mol×K | 607.32 | Joback Calculated Property |
| Cp,gas | 391.43 | J/mol×K | 642.19 | Joback Calculated Property |
| Cp,gas | 404.53 | J/mol×K | 677.05 | Joback Calculated Property |
| Cp,gas | 416.81 | J/mol×K | 711.92 | Joback Calculated Property |
| Cp,gas | 428.32 | J/mol×K | 746.78 | Joback Calculated Property |
| Cp,gas | 439.17 | J/mol×K | 781.65 | Joback Calculated Property |
| Cp,gas | 449.42 | J/mol×K | 816.51 | Joback Calculated Property |
| η | [0.0006118; 0.0032160] | Pa×s | [372.44; 607.32] |
|
| η | 0.0032160 | Pa×s | 372.44 | Joback Calculated Property |
| η | 0.0021383 | Pa×s | 411.59 | Joback Calculated Property |
| η | 0.0015262 | Pa×s | 450.73 | Joback Calculated Property |
| η | 0.0011496 | Pa×s | 489.88 | Joback Calculated Property |
| η | 0.0009031 | Pa×s | 529.03 | Joback Calculated Property |
| η | 0.0007334 | Pa×s | 568.17 | Joback Calculated Property |
| η | 0.0006118 | Pa×s | 607.32 | Joback Calculated Property |
Similar Compounds
Sources
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