- InChI
- InChI=1S/C7H14O3/c1-2-3-4-7(9)10-6-5-8/h8H,2-6H2,1H3
- InChI Key
- GFNKWCJODVREDZ-UHFFFAOYSA-N
- Formula
- C7H14O3
- SMILES
- CCCCC(=O)OCCO
- Molecular Weight1
- 146.18
- 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 | 0.7400 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.712 | Crippen Calculated Property | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Inp | 1096.00 | NIST | |
| Tboil | 485.49 | K | Relay (1.0) Calculated Property |
| Tc | 678.54 | K | Relay (1.0) Calculated Property |
| Tfus | 240.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.82; 407.25] | 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 | 2.72250e+01 | |||
| Coefficient B | 6.48020e-01 | |||
| Coefficient C | -2.92800e-04 | |||
| Coefficient D | 2.48000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 360.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 379.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 394.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 407.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0266114; 0.0002122] | Pa×s | [271.80; 473.97] |
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 | -1.49541e+01 | |||
| Coefficient B | 3.07887e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 271.80 | |||
| Temperature range, max. | 473.97 | |||
| η | 0.0266114 | Pa×s | 271.80 | Calculated Property |
| η | 0.0112079 | Pa×s | 294.26 | Calculated Property |
| η | 0.0053365 | Pa×s | 316.73 | Calculated Property |
| η | 0.0028033 | Pa×s | 339.19 | Calculated Property |
| η | 0.0015952 | Pa×s | 361.65 | Calculated Property |
| η | 0.0009696 | Pa×s | 384.11 | Calculated Property |
| η | 0.0006227 | Pa×s | 406.58 | Calculated Property |
| η | 0.0004189 | Pa×s | 429.04 | Calculated Property |
| η | 0.0002931 | Pa×s | 451.50 | Calculated Property |
| η | 0.0002122 | Pa×s | 473.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyethyl pentanoate.
Sources
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