- InChI
- InChI=1S/C12H26O2/c1-6-7-12(13-8-10(2)3)14-9-11(4)5/h10-12H,6-9H2,1-5H3
- InChI Key
- UAPNJCMKUJQPBK-UHFFFAOYSA-N
- Formula
- C12H26O2
- SMILES
- CCCC(OCC(C)C)OCC(C)C
- Molecular Weight1
- 202.33
- CAS
- 13002-16-9
- 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).
- 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 | 0.5664 | Relay (1.0) Calculated Property | |
| ΔfG° | -167.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.458 | Crippen Calculated Property | |
| McVol | 191.680 | ml/mol | McGowan Calculated Property |
| Pc | 1765.41 | kPa | Joback Calculated Property |
| Tboil | 476.00 ± 5.00 | K | NIST |
| Tc | 632.55 | K | Relay (1.0) Calculated Property |
| Tfus | 172.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.727 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.91; 559.48] | J/mol×K | [517.48; 687.69] | 
|
| Cp,gas | 464.91 | J/mol×K | 517.48 | Joback Calculated Property |
| Cp,gas | 482.20 | J/mol×K | 545.85 | Joback Calculated Property |
| Cp,gas | 498.88 | J/mol×K | 574.22 | Joback Calculated Property |
| Cp,gas | 514.94 | J/mol×K | 602.58 | Joback Calculated Property |
| Cp,gas | 530.40 | J/mol×K | 630.95 | Joback Calculated Property |
| Cp,gas | 545.24 | J/mol×K | 659.32 | Joback Calculated Property |
| Cp,gas | 559.48 | J/mol×K | 687.69 | Joback Calculated Property |
| η | [0.0001210; 0.0112913] | Pa×s | [224.46; 517.48] |
|
| η | 0.0112913 | Pa×s | 224.46 | Joback Calculated Property |
| η | 0.0026983 | Pa×s | 273.30 | Joback Calculated Property |
| η | 0.0009952 | Pa×s | 322.13 | Joback Calculated Property |
| η | 0.0004773 | Pa×s | 370.97 | Joback Calculated Property |
| η | 0.0002716 | Pa×s | 419.81 | Joback Calculated Property |
| η | 0.0001738 | Pa×s | 468.64 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 517.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Diisobutoxy-butane.
Sources
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