- 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
- 202.34
- 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° | 56.15 | 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 | 636.03 | K | Relay (1.0) Calculated Property |
| Tfus | 172.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.91; 677.03] | 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 | 3.79340e+01 | |||
| Coefficient B | 1.03520e+00 | |||
| Coefficient C | -4.16600e-04 | |||
| Coefficient D | 2.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 289.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 352.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 410.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 463.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 511.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 554.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 592.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 625.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 653.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 677.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0112913; 0.0001568] | Pa×s | [224.46; 481.57] |
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 | -1.24941e+01 | |||
| Coefficient B | 1.79800e+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. | 224.46 | |||
| Temperature range, max. | 481.57 | |||
| η | 0.0112913 | Pa×s | 224.46 | Calculated Property |
| η | 0.0045706 | Pa×s | 253.03 | Calculated Property |
| η | 0.0022228 | Pa×s | 281.59 | Calculated Property |
| η | 0.0012345 | Pa×s | 310.16 | Calculated Property |
| η | 0.0007571 | Pa×s | 338.73 | Calculated Property |
| η | 0.0005010 | Pa×s | 367.30 | Calculated Property |
| η | 0.0003519 | Pa×s | 395.86 | Calculated Property |
| η | 0.0002592 | Pa×s | 424.43 | Calculated Property |
| η | 0.0001985 | Pa×s | 453.00 | Calculated Property |
| η | 0.0001568 | Pa×s | 481.57 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Diisobutoxy-butane.
Sources
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