- InChI
- InChI=1S/C12H24O3/c1-6-7-8-9-10(13)15-12(4,5)11(2,3)14/h14H,6-9H2,1-5H3
- InChI Key
- XGWLGQNKEWAYLA-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- CCCCCC(=O)OC(C)(C)C(C)(C)O
- Molecular Weight1
- 216.32
- 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° | -314.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.659 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Inp | [1277.00; 1282.00] |
|
|
| Inp | 1277.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Tboil | 635.97 | K | Joback Calculated Property |
| Tc | 816.26 | K | Joback Calculated Property |
| Tfus | 362.82 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.03; 612.11] | J/mol×K | [635.97; 816.26] |
|
| Cp,gas | 536.03 | J/mol×K | 635.97 | Joback Calculated Property |
| Cp,gas | 550.53 | J/mol×K | 666.02 | Joback Calculated Property |
| Cp,gas | 564.26 | J/mol×K | 696.07 | Joback Calculated Property |
| Cp,gas | 577.25 | J/mol×K | 726.11 | Joback Calculated Property |
| Cp,gas | 589.53 | J/mol×K | 756.16 | Joback Calculated Property |
| Cp,gas | 601.13 | J/mol×K | 786.21 | Joback Calculated Property |
| Cp,gas | 612.11 | J/mol×K | 816.26 | Joback Calculated Property |
| η | [0.0000415; 0.0047728] | Pa×s | [362.82; 635.97] |
|
| η | 0.0047728 | Pa×s | 362.82 | Joback Calculated Property |
| η | 0.0013923 | Pa×s | 408.35 | Joback Calculated Property |
| η | 0.0005200 | Pa×s | 453.87 | Joback Calculated Property |
| η | 0.0002324 | Pa×s | 499.39 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 544.92 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 590.45 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 635.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane-2,3-diol, mono-hexanoate, #2.
Sources
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