- InChI
- InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
- InChI Key
- PXGZQGDTEZPERC-UHFFFAOYSA-N
- Formula
- C8H12O4
- SMILES
- O=C(O)C1CCC(C(=O)O)CC1
- Molecular Weight1
- 172.18
- CAS
- 1076-97-7
- Other Names
-
- 1,4-Cyclohexanedicarboxylic acid,c&t
- 1,4-Dicarboxycyclohexane
- Hexahydroterephthalic acid
- Terephthalic acid, hexahydro-
- cyclohexane-1,4-dicarboxylic acid
- 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 | 0.7635 | Relay (... Calculated Property | |
| ΔfG° | -498.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -798.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.52 | kJ/mol | Relay (... Calculated Property |
| IE | 10.12 | eV | Relay (... Calculated Property |
| log10WS | -1.24 | Relay (... Calculated Property | |
| logPoct/wat | 0.962 | Crippen Calculated Property | |
| McVol | 127.600 | ml/mol | McGowan Calculated Property |
| Pc | 4420.84 | kPa | Joback Calculated Property |
| Tboil | 547.59 | K | Relay (... Calculated Property |
| Tc | 797.39 | K | Relay (... Calculated Property |
| Tfus | 446.26 | K | Relay (... Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.11; 418.18] | J/mol×K | [689.42; 884.77] | 
|
| Cp,gas | 365.11 | J/mol×K | 689.42 | Joback Calculated Property |
| Cp,gas | 375.58 | J/mol×K | 721.98 | Joback Calculated Property |
| Cp,gas | 385.38 | J/mol×K | 754.54 | Joback Calculated Property |
| Cp,gas | 394.53 | J/mol×K | 787.09 | Joback Calculated Property |
| Cp,gas | 403.04 | J/mol×K | 819.65 | Joback Calculated Property |
| Cp,gas | 410.91 | J/mol×K | 852.21 | Joback Calculated Property |
| Cp,gas | 418.18 | J/mol×K | 884.77 | Joback Calculated Property |
| η | [0.0000278; 0.0040256] | Pa×s | [404.56; 689.42] |
|
| η | 0.0040256 | Pa×s | 404.56 | Joback Calculated Property |
| η | 0.0011364 | Pa×s | 452.04 | Joback Calculated Property |
| η | 0.0004080 | Pa×s | 499.51 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 546.99 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 594.47 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 641.94 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 689.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Cyclohexanedicarboxylic acid.
Sources
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