- InChI
- InChI=1S/C7H14O3/c1-3-6(8)5-7(9)10-4-2/h6,8H,3-5H2,1-2H3
- InChI Key
- YESYELHMPYCIAQ-UHFFFAOYSA-N
- Formula
- C7H14O3
- SMILES
- CCOC(=O)CC(O)CC
- Molecular Weight1
- 146.19
- Other Names
-
- Ethyl 3-hydroxypentanoate
- 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.
- Ip : 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 | 0.6549 | Relay (1.0) Calculated Property | |
| ΔfG° | -441.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.710 | Crippen Calculated Property | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Inp | 1129.00 | NIST | |
| Ip | [1552.00; 1587.00] |
|
|
| Ip | 1587.00 | NIST | |
| Ip | 1552.00 | NIST | |
| Ip | 1552.00 | NIST | |
| Ip | 1552.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Tboil | 451.23 | K | Relay (1.0) Calculated Property |
| Tc | 646.28 | K | Relay (1.0) Calculated Property |
| Tfus | 249.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.50; 407.78] | 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 | 2.55430e+01 | |||
| Coefficient B | 6.53940e-01 | |||
| Coefficient C | -2.96000e-04 | |||
| Coefficient D | 2.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 395.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 407.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0522625; 0.0001956] | Pa×s | [256.80; 475.91] |
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 | -1.50881e+01 | |||
| Coefficient B | 3.11669e+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. | 256.80 | |||
| Temperature range, max. | 475.91 | |||
| η | 0.0522625 | Pa×s | 256.80 | Calculated Property |
| η | 0.0182708 | Pa×s | 281.15 | Calculated Property |
| η | 0.0075522 | Pa×s | 305.49 | Calculated Property |
| η | 0.0035566 | Pa×s | 329.84 | Calculated Property |
| η | 0.0018576 | Pa×s | 354.18 | Calculated Property |
| η | 0.0010548 | Pa×s | 378.53 | Calculated Property |
| η | 0.0006413 | Pa×s | 402.88 | Calculated Property |
| η | 0.0004127 | Pa×s | 427.22 | Calculated Property |
| η | 0.0002785 | Pa×s | 451.57 | Calculated Property |
| η | 0.0001956 | Pa×s | 475.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 3-hydroxy-, ethyl ester.
Sources
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