- InChI
- InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3/t5-,6+
- InChI Key
- WEPHXFVXUXMCLE-OLQVQODUSA-N
- Formula
- C8H12O4
- SMILES
- COC(=O)C1CCC1C(=O)OC
- Molecular Weight1
- 172.18
- CAS
- 2607-03-6
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -410.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.49 | kJ/mol | Joback Calculated Property |
| log10WS | -0.31 | Crippen Calculated Property | |
| logPoct/wat | 0.359 | Crippen Calculated Property | |
| McVol | 127.600 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Tboil | 498.20 | K | NIST |
| Tc | 745.03 | K | Joback Calculated Property |
| Tfus | 334.42 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.19; 379.51] | J/mol×K | [541.36; 745.03] | 
|
| Cp,gas | 309.19 | J/mol×K | 541.36 | Joback Calculated Property |
| Cp,gas | 322.49 | J/mol×K | 575.31 | Joback Calculated Property |
| Cp,gas | 335.17 | J/mol×K | 609.25 | Joback Calculated Property |
| Cp,gas | 347.20 | J/mol×K | 643.20 | Joback Calculated Property |
| Cp,gas | 358.61 | J/mol×K | 677.14 | Joback Calculated Property |
| Cp,gas | 369.38 | J/mol×K | 711.09 | Joback Calculated Property |
| Cp,gas | 379.51 | J/mol×K | 745.03 | Joback Calculated Property |
| η | [0.0004315; 0.0018012] | Pa×s | [334.42; 541.36] |
|
| η | 0.0018012 | Pa×s | 334.42 | Joback Calculated Property |
| η | 0.0012700 | Pa×s | 368.91 | Joback Calculated Property |
| η | 0.0009505 | Pa×s | 403.40 | Joback Calculated Property |
| η | 0.0007447 | Pa×s | 437.89 | Joback Calculated Property |
| η | 0.0006045 | Pa×s | 472.38 | Joback Calculated Property |
| η | 0.0005049 | Pa×s | 506.87 | Joback Calculated Property |
| η | 0.0004315 | Pa×s | 541.36 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 387.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Cyclobutanedicarboxylic acid, dimethyl ester, cis-.
Sources
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