- InChI
- InChI=1S/C8H12O4/c1-11-7(9)4-5-3-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
- InChI Key
- UXTUIDNFTDLRIX-PHDIDXHHSA-N
- Formula
- C8H12O4
- SMILES
- COC(=O)CC1CC1C(=O)OC
- Molecular Weight1
- 172.18
- CAS
- 77462-53-4
- Other Names
-
- Methyl 2-(2-methoxy-2-oxoethyl)cyclopropanecarboxylate, (Z)-
- 2-Methoxycarbonylmethyl-cyclopropanecarboxylic acid methyl ester, Z
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -398.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.32 | 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 | 3096.73 | kPa | Joback Calculated Property |
| Inp | [1175.00; 1175.00] |
|
|
| Inp | 1175.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Tboil | 537.09 | K | Joback Calculated Property |
| Tc | 733.84 | K | Joback Calculated Property |
| Tfus | 337.94 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.99; 375.24] | J/mol×K | [537.09; 733.84] |
|
| Cp,gas | 308.99 | J/mol×K | 537.09 | Joback Calculated Property |
| Cp,gas | 321.47 | J/mol×K | 569.88 | Joback Calculated Property |
| Cp,gas | 333.36 | J/mol×K | 602.67 | Joback Calculated Property |
| Cp,gas | 344.67 | J/mol×K | 635.46 | Joback Calculated Property |
| Cp,gas | 355.42 | J/mol×K | 668.25 | Joback Calculated Property |
| Cp,gas | 365.61 | J/mol×K | 701.05 | Joback Calculated Property |
| Cp,gas | 375.24 | J/mol×K | 733.84 | Joback Calculated Property |
| η | [0.0005377; 0.0016772] | Pa×s | [337.94; 537.09] |
|
| η | 0.0016772 | Pa×s | 337.94 | Joback Calculated Property |
| η | 0.0012748 | Pa×s | 371.13 | Joback Calculated Property |
| η | 0.0010135 | Pa×s | 404.32 | Joback Calculated Property |
| η | 0.0008344 | Pa×s | 437.51 | Joback Calculated Property |
| η | 0.0007060 | Pa×s | 470.71 | Joback Calculated Property |
| η | 0.0006106 | Pa×s | 503.90 | Joback Calculated Property |
| η | 0.0005377 | Pa×s | 537.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Carboxycyclopropane-2-acetic acid (Z), dimethyl ester.
Sources
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