- InChI
- InChI=1S/C10H18O4/c1-4-13-10(12)7-5-6-8(2)14-9(3)11/h8H,4-7H2,1-3H3
- InChI Key
- CVPZALWMCZAWPB-UHFFFAOYSA-N
- Formula
- C10H18O4
- SMILES
- CCOC(=O)CCCC(C)OC(C)=O
- Molecular Weight1
- 202.25
- Other Names
-
- «delta»-Acetoxycaproic acid, ethyl ester
- Ethyl 5-(acetyloxy)hexanoate
- Ethyl 5-acetoxyhexanoate
- 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.
- I : 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 | 0.6346 | Relay (1.0) Calculated Property | |
| ΔfG° | -589.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -905.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.671 | Crippen Calculated Property | |
| McVol | 166.640 | ml/mol | McGowan Calculated Property |
| Pc | 2143.35 | kPa | Joback Calculated Property |
| Inp | [1292.00; 1302.00] |
|
|
| Inp | 1302.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1302.00 | NIST | |
| I | 1804.00 | NIST | |
| Tboil | 503.68 | K | Relay (1.0) Calculated Property |
| Tc | 670.56 | K | Relay (1.0) Calculated Property |
| Tfus | 241.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.98; 551.99] | 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 | 4.29340e+01 | |||
| Coefficient B | 8.50160e-01 | |||
| Coefficient C | -3.34200e-04 | |||
| Coefficient D | -6.90000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 249.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 301.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 348.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 391.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 429.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 463.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 492.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 516.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 536.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 551.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0068321; 0.0002035] | Pa×s | [272.12; 505.88] |
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 | -1.25905e+01 | |||
| Coefficient B | 2.06930e+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. | 272.12 | |||
| Temperature range, max. | 505.88 | |||
| η | 0.0068321 | Pa×s | 272.12 | Calculated Property |
| η | 0.0035221 | Pa×s | 298.09 | Calculated Property |
| η | 0.0020192 | Pa×s | 324.07 | Calculated Property |
| η | 0.0012572 | Pa×s | 350.04 | Calculated Property |
| η | 0.0008357 | Pa×s | 376.01 | Calculated Property |
| η | 0.0005856 | Pa×s | 401.99 | Calculated Property |
| η | 0.0004285 | Pa×s | 427.96 | Calculated Property |
| η | 0.0003249 | Pa×s | 453.93 | Calculated Property |
| η | 0.0002539 | Pa×s | 479.91 | Calculated Property |
| η | 0.0002035 | Pa×s | 505.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 5-(acetyloxy)-, ethyl ester.
Sources
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