- InChI
- InChI=1S/C10H20O2/c1-5-6-7-8-10(2,3)9(11)12-4/h5-8H2,1-4H3
- InChI Key
- TWDSPUJFEJFHTH-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCCC(C)(C)C(=O)OC
- 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 | 0.5068 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.766 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Inp | 1030.00 | NIST | |
| Tboil | 443.60 | K | Relay (1.0) Calculated Property |
| Tc | 642.07 | K | Relay (1.0) Calculated Property |
| Tfus | 219.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.50; 544.81] | 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 | -5.26600e+00 | |||
| Coefficient B | 1.02488e+00 | |||
| Coefficient C | -5.97400e-04 | |||
| Coefficient D | 1.22600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 232.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 287.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 337.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 381.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 419.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 452.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 481.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 506.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 527.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 544.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0084823; 0.0002420] | Pa×s | [247.21; 463.93] |
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 | -1.23839e+01 | |||
| Coefficient B | 1.88230e+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. | 247.21 | |||
| Temperature range, max. | 463.93 | |||
| η | 0.0084823 | Pa×s | 247.21 | Calculated Property |
| η | 0.0043152 | Pa×s | 271.29 | Calculated Property |
| η | 0.0024510 | Pa×s | 295.37 | Calculated Property |
| η | 0.0015161 | Pa×s | 319.45 | Calculated Property |
| η | 0.0010031 | Pa×s | 343.53 | Calculated Property |
| η | 0.0007006 | Pa×s | 367.61 | Calculated Property |
| η | 0.0005114 | Pa×s | 391.69 | Calculated Property |
| η | 0.0003872 | Pa×s | 415.77 | Calculated Property |
| η | 0.0003022 | Pa×s | 439.85 | Calculated Property |
| η | 0.0002420 | Pa×s | 463.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2,2-dimethyl, methyl ester.
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