- InChI
- InChI=1S/C12H12O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-5H,6-7H2,1H3,(H,13,14)
- InChI Key
- BIWORKOXNUWVKT-UHFFFAOYSA-N
- Formula
- C12H12O2
- SMILES
- CC1=C(C(=O)O)CCc2ccccc21
- Molecular Weight1
- 188.22
- CAS
- 6279-88-5
- 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 | 0.6576 | Relay (1.0) Calculated Property | |
| ΔfG° | -45.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.491 | Crippen Calculated Property | |
| McVol | 148.460 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Tboil | 595.94 | K | Relay (1.0) Calculated Property |
| Tc | 861.03 | K | Relay (1.0) Calculated Property |
| Tfus | 396.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.18; 440.89] | J/mol×K | [676.47; 894.63] | 
|
| Cp,gas | 382.18 | J/mol×K | 676.47 | Joback Calculated Property |
| Cp,gas | 393.72 | J/mol×K | 712.83 | Joback Calculated Property |
| Cp,gas | 404.48 | J/mol×K | 749.19 | Joback Calculated Property |
| Cp,gas | 414.53 | J/mol×K | 785.55 | Joback Calculated Property |
| Cp,gas | 423.91 | J/mol×K | 821.91 | Joback Calculated Property |
| Cp,gas | 432.67 | J/mol×K | 858.27 | Joback Calculated Property |
| Cp,gas | 440.89 | J/mol×K | 894.63 | Joback Calculated Property |
| η | [0.0000999; 0.0017184] | Pa×s | [419.15; 676.47] |
|
| η | 0.0017184 | Pa×s | 419.15 | Joback Calculated Property |
| η | 0.0008582 | Pa×s | 462.04 | Joback Calculated Property |
| η | 0.0004823 | Pa×s | 504.92 | Joback Calculated Property |
| η | 0.0002966 | Pa×s | 547.81 | Joback Calculated Property |
| η | 0.0001958 | Pa×s | 590.70 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 633.58 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 676.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-3,4-dihydro-2-naphthoic acid.
Sources
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