- InChI
- InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3
- InChI Key
- SMCVPMKCDDNUCQ-UHFFFAOYSA-N
- Formula
- C6H12O4
- SMILES
- COC(=O)CC(OC)OC
- Molecular Weight1
- 148.16
- CAS
- 7424-91-1
- Other Names
-
- Propanoic acid, 3,3-dimethoxy-, methyl ester
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4707 | Relay (1.0) Calculated Property | |
| ΔfG° | -446.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.168 | Crippen Calculated Property | |
| McVol | 114.580 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Tboil | 430.29 | K | Relay (1.0) Calculated Property |
| Tc | 609.64 | K | Relay (1.0) Calculated Property |
| Tfus | 204.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.97; 299.88] | J/mol×K | [457.37; 638.22] | 
|
| Cp,gas | 243.97 | J/mol×K | 457.37 | Joback Calculated Property |
| Cp,gas | 253.90 | J/mol×K | 487.51 | Joback Calculated Property |
| Cp,gas | 263.61 | J/mol×K | 517.65 | Joback Calculated Property |
| Cp,gas | 273.08 | J/mol×K | 547.79 | Joback Calculated Property |
| Cp,gas | 282.29 | J/mol×K | 577.94 | Joback Calculated Property |
| Cp,gas | 291.23 | J/mol×K | 608.08 | Joback Calculated Property |
| Cp,gas | 299.88 | J/mol×K | 638.22 | Joback Calculated Property |
| η | [0.0001945; 0.0025035] | Pa×s | [259.00; 457.37] |
|
| η | 0.0025035 | Pa×s | 259.00 | Joback Calculated Property |
| η | 0.0012851 | Pa×s | 292.06 | Joback Calculated Property |
| η | 0.0007555 | Pa×s | 325.12 | Joback Calculated Property |
| η | 0.0004899 | Pa×s | 358.19 | Joback Calculated Property |
| η | 0.0003418 | Pa×s | 391.25 | Joback Calculated Property |
| η | 0.0002523 | Pa×s | 424.31 | Joback Calculated Property |
| η | 0.0001945 | Pa×s | 457.37 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 350.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Methyl 3,3-dimethoxypropionate.
Sources
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