- InChI
- InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
- InChI Key
- RXOHFPCZGPKIRD-UHFFFAOYSA-N
- Formula
- C12H8O4
- SMILES
- O=C(O)c1ccc2cc(C(=O)O)ccc2c1
- Molecular Weight1
- 216.19
- CAS
- 1141-38-4
- Other Names
-
- 2,6-naphthalic acid
- naphthalene-2,6-dicarboxylic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase 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 | 0.9310 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5095.19 ± 0.78 | kJ/mol | NIST |
| ΔfG° | -281.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -770.25 ± 0.96 | kJ/mol | NIST |
| ΔfusH° | 28.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.236 | Crippen Calculated Property | |
| McVol | 151.600 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 627.78 | K | Relay (1.0) Calculated Property |
| Tc | 967.64 | K | Relay (1.0) Calculated Property |
| Tfus | 588.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.542 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.62; 443.61] | J/mol×K | [821.68; 1035.21] | 
|
| Cp,gas | 406.62 | J/mol×K | 821.68 | Joback Calculated Property |
| Cp,gas | 413.86 | J/mol×K | 857.27 | Joback Calculated Property |
| Cp,gas | 420.61 | J/mol×K | 892.86 | Joback Calculated Property |
| Cp,gas | 426.90 | J/mol×K | 928.45 | Joback Calculated Property |
| Cp,gas | 432.80 | J/mol×K | 964.03 | Joback Calculated Property |
| Cp,gas | 438.35 | J/mol×K | 999.62 | Joback Calculated Property |
| Cp,gas | 443.61 | J/mol×K | 1035.21 | Joback Calculated Property |
| Cp,solid | 230.30 | J/mol×K | 298.15 | NIST |
| η | [0.0000149; 0.0004215] | Pa×s | [530.66; 821.68] |
|
| η | 0.0004215 | Pa×s | 530.66 | Joback Calculated Property |
| η | 0.0001913 | Pa×s | 579.16 | Joback Calculated Property |
| η | 0.0000981 | Pa×s | 627.67 | Joback Calculated Property |
| η | 0.0000554 | Pa×s | 676.17 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 724.67 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 773.18 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 821.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Naphthalenedicarboxylic acid.
Mixtures
- 2,6-Naphthalenedicarboxylic acid + N,N-Dimethylacetamide
- 2,6-Naphthalenedicarboxylic acid + 2-Pyrrolidinone, 1-methyl-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic Properties and Crystal Structures of the Adductive 2,6-Naphthalenedicarboxylic Acid Crystallization with N,N-Dimethyl Acetamide and N-Methyl Pyrrolidone
- Joback Method
- McGowan Method
- NIST Webbook
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