- InChI
- InChI=1S/C16H34O/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3/h16H,4-15H2,1-3H3
- InChI Key
- BCNBKYACFICSFV-UHFFFAOYSA-N
- Formula
- C16H34O
- SMILES
- CCCCCCCCCCCCOCC(C)C
- Molecular Weight1
- 242.45
- 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 | 0.7561 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.580 | Crippen Calculated Property | |
| McVol | 242.170 | ml/mol | McGowan Calculated Property |
| Pc | 1309.90 | kPa | Joback Calculated Property |
| Inp | [1627.00; 1627.00] |
|
|
| Inp | 1627.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Tboil | 546.35 | K | Relay (1.0) Calculated Property |
| Tc | 718.43 | K | Relay (1.0) Calculated Property |
| Tfus | 243.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.945 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.99; 863.82] | 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 | 1.21620e+01 | |||
| Coefficient B | 1.46656e+00 | |||
| Coefficient C | -7.38800e-04 | |||
| Coefficient D | 1.23900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 359.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 588.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 650.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 704.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 753.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 795.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 832.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 863.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048619; 0.0001690] | Pa×s | [277.31; 524.47] |
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 | -1.24552e+01 | |||
| Coefficient B | 1.97691e+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. | 277.31 | |||
| Temperature range, max. | 524.47 | |||
| η | 0.0048619 | Pa×s | 277.31 | Calculated Property |
| η | 0.0025575 | Pa×s | 304.77 | Calculated Property |
| η | 0.0014961 | Pa×s | 332.24 | Calculated Property |
| η | 0.0009499 | Pa×s | 359.70 | Calculated Property |
| η | 0.0006432 | Pa×s | 387.16 | Calculated Property |
| η | 0.0004586 | Pa×s | 414.62 | Calculated Property |
| η | 0.0003411 | Pa×s | 442.09 | Calculated Property |
| η | 0.0002626 | Pa×s | 469.55 | Calculated Property |
| η | 0.0002081 | Pa×s | 497.01 | Calculated Property |
| η | 0.0001690 | Pa×s | 524.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl isobutyl ether.
Sources
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