- InChI
- InChI=1S/C9H18O3/c1-2-3-4-5-6-9(11)12-8-7-10/h10H,2-8H2,1H3
- InChI Key
- OPIZFHYNWKYUKL-UHFFFAOYSA-N
- Formula
- C9H18O3
- SMILES
- CCCCCCC(=O)OCCO
- Molecular Weight1
- 174.24
- 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 | 0.8093 | Relay (1.0) Calculated Property | |
| ΔfG° | -422.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 150.980 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | 1294.00 | NIST | |
| Tboil | 519.68 | K | Relay (1.0) Calculated Property |
| Tc | 709.68 | K | Relay (1.0) Calculated Property |
| Tfus | 258.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.573 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.24; 510.43] | 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 | 2.54070e+01 | |||
| Coefficient B | 8.38020e-01 | |||
| Coefficient C | -4.01600e-04 | |||
| Coefficient D | 4.86000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 225.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 357.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 392.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 423.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 450.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 474.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 494.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 510.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0169665; 0.0001661] | Pa×s | [294.34; 504.69] |
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 | -1.51766e+01 | |||
| Coefficient B | 3.26719e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 294.34 | |||
| Temperature range, max. | 504.69 | |||
| η | 0.0169665 | Pa×s | 294.34 | Calculated Property |
| η | 0.0074983 | Pa×s | 317.71 | Calculated Property |
| η | 0.0037062 | Pa×s | 341.08 | Calculated Property |
| η | 0.0020052 | Pa×s | 364.46 | Calculated Property |
| η | 0.0011682 | Pa×s | 387.83 | Calculated Property |
| η | 0.0007237 | Pa×s | 411.20 | Calculated Property |
| η | 0.0004720 | Pa×s | 434.57 | Calculated Property |
| η | 0.0003216 | Pa×s | 457.95 | Calculated Property |
| η | 0.0002275 | Pa×s | 481.32 | Calculated Property |
| η | 0.0001661 | Pa×s | 504.69 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyethyl heptanoate.
Sources
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