- InChI
- InChI=1S/C7H12O4/c1-7(2,5(8)10-3)6(9)11-4/h1-4H3
- InChI Key
- CAFVGIPKHPBMJS-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- COC(=O)C(C)(C)C(=O)OC
- Molecular Weight1
- 160.17
- CAS
- 6065-54-9
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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°liquid : Liquid 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3611.10 ± 0.42 | kJ/mol | NIST |
| ΔfG° | -456.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.74 ± 0.79 | kJ/mol | NIST |
| ΔfH°liquid | -858.43 ± 0.42 | kJ/mol | NIST |
| ΔfusH° | 12.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [55.69; 55.70] | kJ/mol |
|
| ΔvapH° | 55.69 ± 0.79 | kJ/mol | NIST |
| ΔvapH° | 55.70 | kJ/mol | NIST |
| log10WS | -0.24 | Crippen Calculated Property | |
| logPoct/wat | 0.359 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 508.91 | K | Joback Calculated Property |
| Tc | 706.01 | K | Joback Calculated Property |
| Tfus | 315.39 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.74; 341.51] | J/mol×K | [508.91; 706.01] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 280 290 300 310 320 330 340 550 600 650 700 | ||||
| Cp,gas | 281.74 | J/mol×K | 508.91 | Joback Calculated Property |
| Cp,gas | 293.00 | J/mol×K | 541.76 | Joback Calculated Property |
| Cp,gas | 303.74 | J/mol×K | 574.61 | Joback Calculated Property |
| Cp,gas | 313.95 | J/mol×K | 607.46 | Joback Calculated Property |
| Cp,gas | 323.65 | J/mol×K | 640.31 | Joback Calculated Property |
| Cp,gas | 332.83 | J/mol×K | 673.16 | Joback Calculated Property |
| Cp,gas | 341.51 | J/mol×K | 706.01 | Joback Calculated Property |
| Cp,liquid | 259.30 | J/mol×K | 298.15 | NIST |
| η | [0.0002384; 0.0024923] | Pa×s | [315.39; 508.91] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 350 400 450 500 | ||||
| η | 0.0024923 | Pa×s | 315.39 | Joback Calculated Property |
| η | 0.0014058 | Pa×s | 347.64 | Joback Calculated Property |
| η | 0.0008739 | Pa×s | 379.90 | Joback Calculated Property |
| η | 0.0005852 | Pa×s | 412.15 | Joback Calculated Property |
| η | 0.0004154 | Pa×s | 444.40 | Joback Calculated Property |
| η | 0.0003088 | Pa×s | 476.66 | Joback Calculated Property |
| η | 0.0002384 | Pa×s | 508.91 | Joback Calculated Property |
| ΔvapH | 55.60 ± 0.80 | kJ/mol | 292.50 | NIST |
Similar Compounds
Find more compounds similar to Dimethylpropanedioic acid dimethyl ester.
Sources
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