- InChI
- InChI=1S/C12H16O4/c13-11(14)6-3-7-5-1-9(8(7)4-6)10(2-5)12(15)16/h5-10H,1-4H2,(H,13,14)(H,15,16)
- InChI Key
- RKLMSTQEVORNHJ-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
-
O=C(O)C1CC2C3CC(C(=O)O)C(C3)C2
C1 - Molecular Weight1
- 224.25
- CAS
- 87324-44-5
- 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 | 0.7549 | Relay (1.0) Calculated Property | |
| ΔfG° | -334.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.454 | Crippen Calculated Property | |
| McVol | 162.240 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Tboil | 579.49 | K | Relay (1.0) Calculated Property |
| Tc | 886.83 | K | Relay (1.0) Calculated Property |
| Tfus | 440.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.78; 608.20] | J/mol×K | [776.54; 975.86] | 
|
| Cp,gas | 543.78 | J/mol×K | 776.54 | Joback Calculated Property |
| Cp,gas | 556.12 | J/mol×K | 809.76 | Joback Calculated Property |
| Cp,gas | 567.72 | J/mol×K | 842.98 | Joback Calculated Property |
| Cp,gas | 578.66 | J/mol×K | 876.20 | Joback Calculated Property |
| Cp,gas | 589.01 | J/mol×K | 909.42 | Joback Calculated Property |
| Cp,gas | 598.83 | J/mol×K | 942.64 | Joback Calculated Property |
| Cp,gas | 608.20 | J/mol×K | 975.86 | Joback Calculated Property |
| η | [0.0003202; 0.0041564] | Pa×s | [484.08; 776.54] |
|
| η | 0.0041564 | Pa×s | 484.08 | Joback Calculated Property |
| η | 0.0022300 | Pa×s | 532.82 | Joback Calculated Property |
| η | 0.0013281 | Pa×s | 581.57 | Joback Calculated Property |
| η | 0.0008570 | Pa×s | 630.31 | Joback Calculated Property |
| η | 0.0005889 | Pa×s | 679.05 | Joback Calculated Property |
| η | 0.0004255 | Pa×s | 727.80 | Joback Calculated Property |
| η | 0.0003202 | Pa×s | 776.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,7-Methanoindan-2,5-dicarboxylic acid, hexahydro-.
Sources
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