- InChI
- InChI=1S/C13H26O3/c1-4-5-6-7-8-9-13(14)16-11-10-12(2)15-3/h12H,4-11H2,1-3H3
- InChI Key
- CSCXLFUSJVNPHR-UHFFFAOYSA-N
- Formula
- C13H26O3
- SMILES
- CCCCCCCC(=O)OCCC(C)OC
- Molecular Weight1
- 230.34
- 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° | -282.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -693.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 3.315 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Pc | 1694.90 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1526.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Tboil | 595.11 | K | Joback Calculated Property |
| Tc | 766.49 | K | Joback Calculated Property |
| Tfus | 315.66 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.85; 632.50] | J/mol×K | [595.11; 766.49] |
|
| Cp,gas | 543.85 | J/mol×K | 595.11 | Joback Calculated Property |
| Cp,gas | 560.25 | J/mol×K | 623.67 | Joback Calculated Property |
| Cp,gas | 575.99 | J/mol×K | 652.24 | Joback Calculated Property |
| Cp,gas | 591.08 | J/mol×K | 680.80 | Joback Calculated Property |
| Cp,gas | 605.53 | J/mol×K | 709.37 | Joback Calculated Property |
| Cp,gas | 619.34 | J/mol×K | 737.93 | Joback Calculated Property |
| Cp,gas | 632.50 | J/mol×K | 766.49 | Joback Calculated Property |
| η | [0.0001259; 0.0027073] | Pa×s | [315.66; 595.11] |
|
| η | 0.0027073 | Pa×s | 315.66 | Joback Calculated Property |
| η | 0.0011685 | Pa×s | 362.23 | Joback Calculated Property |
| η | 0.0006108 | Pa×s | 408.81 | Joback Calculated Property |
| η | 0.0003646 | Pa×s | 455.38 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 501.96 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 548.54 | Joback Calculated Property |
| η | 0.0001259 | Pa×s | 595.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybutyl caprylate.
Sources
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