- InChI
- InChI=1S/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16)
- InChI Key
- LZQKNRRVTOJUHQ-UHFFFAOYSA-N
- Formula
- C13H13NO2
- SMILES
- CN(C)c1ccc(C(=O)O)c2ccccc12
- Molecular Weight1
- 215.25
- CAS
- 78062-03-0
- 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).
- 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 | 0.7976 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -230.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.604 | Crippen Calculated Property | |
| McVol | 168.230 | ml/mol | McGowan Calculated Property |
| Pc | 3202.78 | kPa | Joback Calculated Property |
| Tboil | 624.86 | K | Relay (1.0) Calculated Property |
| Tc | 928.41 | K | Relay (1.0) Calculated Property |
| Tfus | 485.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.602 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.39; 504.49] | J/mol×K | [710.95; 924.65] | 
|
| Cp,gas | 446.39 | J/mol×K | 710.95 | Joback Calculated Property |
| Cp,gas | 457.81 | J/mol×K | 746.57 | Joback Calculated Property |
| Cp,gas | 468.45 | J/mol×K | 782.18 | Joback Calculated Property |
| Cp,gas | 478.37 | J/mol×K | 817.80 | Joback Calculated Property |
| Cp,gas | 487.64 | J/mol×K | 853.41 | Joback Calculated Property |
| Cp,gas | 496.33 | J/mol×K | 889.03 | Joback Calculated Property |
| Cp,gas | 504.49 | J/mol×K | 924.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Dimethylaminonaphthalene-1-carboxylic acid.
Sources
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