- InChI
- InChI=1S/C12H24O4/c1-5-6-7-14-9-11(4)16-12(13)15-8-10(2)3/h10-11H,5-9H2,1-4H3
- InChI Key
- BRURFZXLTNZTRM-UHFFFAOYSA-N
- Formula
- C12H24O4
- SMILES
- CCCCOCC(C)OC(=O)OCC(C)C
- Molecular Weight1
- 232.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -941.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.001 | Crippen Calculated Property | |
| McVol | 199.120 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | [1415.00; 1415.00] |
|
|
| Inp | 1415.00 | NIST | |
| Inp | 1415.00 | NIST | |
| Tboil | 508.83 | K | Relay (1.0) Calculated Property |
| Tc | 655.94 | K | Relay (1.0) Calculated Property |
| Tfus | 196.87 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.56; 684.61] | 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 | 6.50250e+01 | |||
| Coefficient B | 9.74480e-01 | |||
| Coefficient C | -3.18800e-04 | |||
| Coefficient D | -3.61000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 306.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 368.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 425.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 477.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 524.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 567.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 604.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 636.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 663.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 684.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047035; 0.0001381] | Pa×s | [281.79; 524.17] |
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 | -1.29889e+01 | |||
| Coefficient B | 2.14990e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 281.79 | |||
| Temperature range, max. | 524.17 | |||
| η | 0.0047035 | Pa×s | 281.79 | Calculated Property |
| η | 0.0024176 | Pa×s | 308.72 | Calculated Property |
| η | 0.0013827 | Pa×s | 335.65 | Calculated Property |
| η | 0.0008592 | Pa×s | 362.58 | Calculated Property |
| η | 0.0005703 | Pa×s | 389.51 | Calculated Property |
| η | 0.0003991 | Pa×s | 416.44 | Calculated Property |
| η | 0.0002917 | Pa×s | 443.37 | Calculated Property |
| η | 0.0002209 | Pa×s | 470.31 | Calculated Property |
| η | 0.0001725 | Pa×s | 497.24 | Calculated Property |
| η | 0.0001381 | Pa×s | 524.17 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butoxypropan-2-yl isobutyl carbonate.
Sources
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