- InChI
- InChI=1S/C10H20O2/c1-7-12-8(11)10(5,6)9(2,3)4/h7H2,1-6H3
- InChI Key
- ISDTWPKODWTCFS-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCOC(=O)C(C)(C)C(C)(C)C
- Molecular Weight1
- 172.27
- 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 | 0.4130 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Inp | [987.00; 987.00] |
|
|
| Inp | 987.00 | NIST | |
| Inp | 987.00 | NIST | |
| Tboil | 437.73 | K | Relay (1.0) Calculated Property |
| Tc | 646.41 | K | Relay (1.0) Calculated Property |
| Tfus | 304.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.04; 546.28] | 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 | -2.97390e+01 | |||
| Coefficient B | 1.15072e+00 | |||
| Coefficient C | -7.69200e-04 | |||
| Coefficient D | 1.94500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 231.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 289.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 341.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 385.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 424.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 457.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 485.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 508.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 529.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 546.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0121066; 0.0002258] | Pa×s | [249.63; 469.43] |
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 | -1.29179e+01 | |||
| Coefficient B | 2.12284e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 249.63 | |||
| Temperature range, max. | 469.43 | |||
| η | 0.0121066 | Pa×s | 249.63 | Calculated Property |
| η | 0.0056742 | Pa×s | 274.05 | Calculated Property |
| η | 0.0030105 | Pa×s | 298.47 | Calculated Property |
| η | 0.0017580 | Pa×s | 322.90 | Calculated Property |
| η | 0.0011073 | Pa×s | 347.32 | Calculated Property |
| η | 0.0007411 | Pa×s | 371.74 | Calculated Property |
| η | 0.0005212 | Pa×s | 396.16 | Calculated Property |
| η | 0.0003818 | Pa×s | 420.59 | Calculated Property |
| η | 0.0002894 | Pa×s | 445.01 | Calculated Property |
| η | 0.0002258 | Pa×s | 469.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,2,3,3-tetramethyl, ethyl ester.
Sources
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