- InChI
- InChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3
- InChI Key
- ASZRODBLMORHAR-UHFFFAOYSA-N
- Formula
- C7H12O3
- SMILES
- COC(=O)C1CCC(O)C1
- Molecular Weight1
- 144.17
- CAS
- 32811-76-0
- 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).
- 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° | -333.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.96 | kJ/mol | Joback Calculated Property |
| log10WS | -0.64 | Crippen Calculated Property | |
| logPoct/wat | 0.320 | Crippen Calculated Property | |
| McVol | 111.940 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Tboil | 538.64 | K | Joback Calculated Property |
| Tc | 732.32 | K | Joback Calculated Property |
| Tfus | 308.29 | K | Joback Calculated Property |
| Vc | 0.410 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.17; 339.79] | J/mol×K | [538.64; 732.32] | 
|
| Cp,gas | 275.17 | J/mol×K | 538.64 | Joback Calculated Property |
| Cp,gas | 287.37 | J/mol×K | 570.92 | Joback Calculated Property |
| Cp,gas | 299.00 | J/mol×K | 603.20 | Joback Calculated Property |
| Cp,gas | 310.05 | J/mol×K | 635.48 | Joback Calculated Property |
| Cp,gas | 320.52 | J/mol×K | 667.76 | Joback Calculated Property |
| Cp,gas | 330.43 | J/mol×K | 700.04 | Joback Calculated Property |
| Cp,gas | 339.79 | J/mol×K | 732.32 | Joback Calculated Property |
| η | [0.0001871; 0.0081473] | Pa×s | [308.29; 538.64] |
|
| η | 0.0081473 | Pa×s | 308.29 | Joback Calculated Property |
| η | 0.0030661 | Pa×s | 346.68 | Joback Calculated Property |
| η | 0.0014021 | Pa×s | 385.07 | Joback Calculated Property |
| η | 0.0007389 | Pa×s | 423.47 | Joback Calculated Property |
| η | 0.0004332 | Pa×s | 461.86 | Joback Calculated Property |
| η | 0.0002756 | Pa×s | 500.25 | Joback Calculated Property |
| η | 0.0001871 | Pa×s | 538.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanecarboxylic acid, 3-hydroxy-, methyl ester.
Sources
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