- InChI
- InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3
- InChI Key
- JJRDRFZYKKFYMO-UHFFFAOYSA-N
- Formula
- C10H22O2
- SMILES
- CCC(C)(C)OOC(C)(C)CC
- Molecular Weight1
- 174.28
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4990 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6479.80 | kJ/mol | NIST |
| ΔfG° | -171.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -388.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -599.60 | kJ/mol | NIST |
| ΔfusH° | 9.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.312 | Crippen Calculated Property | |
| McVol | 163.500 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Tboil | 444.54 | K | Relay (1.0) Calculated Property |
| Tc | 624.04 | K | Relay (1.0) Calculated Property |
| Tfus | 251.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [331.60; 331.70] | K | [1.90; 1.90] |
|
| Tboilr | 331.70 | K | 1.90 | NIST |
| Tboilr | 331.60 | K | 1.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.51; 575.17] | 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 | -4.14800e+00 | |||
| Coefficient B | 1.07912e+00 | |||
| Coefficient C | -6.41800e-04 | |||
| Coefficient D | 1.42000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 245.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 303.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 355.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 400.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 441.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 476.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 506.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 533.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 555.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 575.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063620; 0.0001913] | Pa×s | [251.76; 454.59] |
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 | -1.29113e+01 | |||
| Coefficient B | 1.97730e+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. | 251.76 | |||
| Temperature range, max. | 454.59 | |||
| η | 0.0063620 | Pa×s | 251.76 | Calculated Property |
| η | 0.0033370 | Pa×s | 274.30 | Calculated Property |
| η | 0.0019305 | Pa×s | 296.83 | Calculated Property |
| η | 0.0012065 | Pa×s | 319.37 | Calculated Property |
| η | 0.0008022 | Pa×s | 341.91 | Calculated Property |
| η | 0.0005610 | Pa×s | 364.44 | Calculated Property |
| η | 0.0004090 | Pa×s | 386.98 | Calculated Property |
| η | 0.0003088 | Pa×s | 409.51 | Calculated Property |
| η | 0.0002400 | Pa×s | 432.05 | Calculated Property |
| η | 0.0001913 | Pa×s | 454.59 | Calculated Property |
Similar Compounds
Find more compounds similar to (CH3)2C(C2H5)OOC(CH3)2C2H5.
Sources
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