- InChI
- InChI=1S/C10H20O2/c1-8(6-10(3,4)5)7-12-9(2)11/h8H,6-7H2,1-5H3
- InChI Key
- VCSSZPFJAXWTBM-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CC(=O)OCC(C)CC(C)(C)C
- Molecular Weight1
- 172.26
- 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 | 0.4735 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -608.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | [1082.00; 1082.00] |
|
|
| Inp | 1082.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Tboil | 458.75 | K | Relay (1.0) Calculated Property |
| Tc | 628.25 | K | Relay (1.0) Calculated Property |
| Tfus | 218.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.18; 545.35] | 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 | -6.94800e+00 | |||
| Coefficient B | 1.03080e+00 | |||
| Coefficient C | -6.00600e-04 | |||
| Coefficient D | 1.22100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 232.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 287.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 337.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 381.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 419.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 453.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 482.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 507.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 527.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 545.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0142777; 0.0002248] | Pa×s | [232.21; 466.30] |
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 | -1.25179e+01 | |||
| Coefficient B | 1.92012e+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. | 232.21 | |||
| Temperature range, max. | 466.30 | |||
| η | 0.0142777 | Pa×s | 232.21 | Calculated Property |
| η | 0.0062077 | Pa×s | 258.22 | Calculated Property |
| η | 0.0031435 | Pa×s | 284.23 | Calculated Property |
| η | 0.0017842 | Pa×s | 310.24 | Calculated Property |
| η | 0.0011054 | Pa×s | 336.25 | Calculated Property |
| η | 0.0007336 | Pa×s | 362.26 | Calculated Property |
| η | 0.0005143 | Pa×s | 388.27 | Calculated Property |
| η | 0.0003771 | Pa×s | 414.28 | Calculated Property |
| η | 0.0002868 | Pa×s | 440.29 | Calculated Property |
| η | 0.0002248 | Pa×s | 466.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 2,4,4-trimethylpentyl ester.
Sources
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