- InChI
- InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-12(14)15-11-10-13/h13H,2-11H2,1H3
- InChI Key
- IGPIBLIHYRGADN-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- CCCCCCCCCC(=O)OCCO
- Molecular Weight1
- 216.32
- 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 | 0.9156 | Relay (1.0) Calculated Property | |
| ΔfG° | -397.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.663 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Pc | 1935.54 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1595.00] |
|
|
| Inp | 1595.00 | NIST | |
| Inp | 1595.00 | NIST | |
| Tboil | 564.86 | K | Relay (1.0) Calculated Property |
| Tc | 745.36 | K | Relay (1.0) Calculated Property |
| Tfus | 284.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.89; 665.20] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.26800e+01 | |||
| Coefficient B | 1.12302e+00 | |||
| Coefficient C | -5.64800e-04 | |||
| Coefficient D | 8.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 288.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 353.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 410.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 462.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 509.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 550.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 585.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 616.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 643.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 665.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0087385; 0.0001088] | Pa×s | [328.15; 551.94] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.55572e+01 | |||
| Coefficient B | 3.54967e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 328.15 | |||
| Temperature range, max. | 551.94 | |||
| η | 0.0087385 | Pa×s | 328.15 | Calculated Property |
| η | 0.0040787 | Pa×s | 353.02 | Calculated Property |
| η | 0.0021046 | Pa×s | 377.88 | Calculated Property |
| η | 0.0011784 | Pa×s | 402.75 | Calculated Property |
| η | 0.0007058 | Pa×s | 427.61 | Calculated Property |
| η | 0.0004473 | Pa×s | 452.48 | Calculated Property |
| η | 0.0002972 | Pa×s | 477.35 | Calculated Property |
| η | 0.0002057 | Pa×s | 502.21 | Calculated Property |
| η | 0.0001474 | Pa×s | 527.08 | Calculated Property |
| η | 0.0001088 | Pa×s | 551.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyethyl caprate.
Sources
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