- InChI
- InChI=1S/C8H12O5/c1-12-8(11)7-5(13-7)3-2-4-6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
- InChI Key
- FSHLQCGOAFXLCO-UHFFFAOYSA-N
- Formula
- C8H12O5
- SMILES
- COC(=O)C1OC1CCCC(=O)O
- Molecular Weight1
- 188.18
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7548 | Relay (1.0) Calculated Property | |
| ΔfG° | -516.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -890.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.182 | Crippen Calculated Property | |
| McVol | 133.470 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Inp | 1390.00 | NIST | |
| Tboil | 546.48 | K | Relay (1.0) Calculated Property |
| Tc | 743.88 | K | Relay (1.0) Calculated Property |
| Tfus | 355.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.500 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.93; 417.47] | J/mol×K | [633.80; 820.50] | 
|
| Cp,gas | 363.93 | J/mol×K | 633.80 | Joback Calculated Property |
| Cp,gas | 374.15 | J/mol×K | 664.92 | Joback Calculated Property |
| Cp,gas | 383.83 | J/mol×K | 696.03 | Joback Calculated Property |
| Cp,gas | 392.99 | J/mol×K | 727.15 | Joback Calculated Property |
| Cp,gas | 401.64 | J/mol×K | 758.27 | Joback Calculated Property |
| Cp,gas | 409.79 | J/mol×K | 789.39 | Joback Calculated Property |
| Cp,gas | 417.47 | J/mol×K | 820.50 | Joback Calculated Property |
| η | [0.0002340; 0.0030986] | Pa×s | [403.10; 633.80] |
|
| η | 0.0030986 | Pa×s | 403.10 | Joback Calculated Property |
| η | 0.0016701 | Pa×s | 441.55 | Joback Calculated Property |
| η | 0.0009938 | Pa×s | 480.00 | Joback Calculated Property |
| η | 0.0006387 | Pa×s | 518.45 | Joback Calculated Property |
| η | 0.0004364 | Pa×s | 556.90 | Joback Calculated Property |
| η | 0.0003132 | Pa×s | 595.35 | Joback Calculated Property |
| η | 0.0002340 | Pa×s | 633.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(3-Carboxy-propyl)-oxirane-2-carboxylic acid methyl ester.
Sources
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