- InChI
- InChI=1S/C8H16O3/c1-4-8(9)11-6-5-7(2)10-3/h7H,4-6H2,1-3H3
- InChI Key
- GHVQFNRPRVTBJY-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CCC(=O)OCCC(C)OC
- Molecular Weight1
- 160.21
- 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 | 0.5240 | Relay (1.0) Calculated Property | |
| ΔfG° | -401.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.365 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [1048.00; 1048.00] |
|
|
| Inp | 1048.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Tboil | 453.62 | K | Relay (1.0) Calculated Property |
| Tc | 627.78 | K | Relay (1.0) Calculated Property |
| Tfus | 208.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.62; 459.20] | 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 | 4.48430e+01 | |||
| Coefficient B | 6.51760e-01 | |||
| Coefficient C | -2.09000e-04 | |||
| Coefficient D | -2.84000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 206.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 321.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 353.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 381.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 406.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 427.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 445.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0066440; 0.0002178] | Pa×s | [229.48; 446.58] |
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 | -1.20445e+01 | |||
| Coefficient B | 1.61335e+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. | 229.48 | |||
| Temperature range, max. | 446.58 | |||
| η | 0.0066440 | Pa×s | 229.48 | Calculated Property |
| η | 0.0034041 | Pa×s | 253.60 | Calculated Property |
| η | 0.0019590 | Pa×s | 277.73 | Calculated Property |
| η | 0.0012314 | Pa×s | 301.85 | Calculated Property |
| η | 0.0008291 | Pa×s | 325.97 | Calculated Property |
| η | 0.0005896 | Pa×s | 350.09 | Calculated Property |
| η | 0.0004380 | Pa×s | 374.22 | Calculated Property |
| η | 0.0003374 | Pa×s | 398.34 | Calculated Property |
| η | 0.0002677 | Pa×s | 422.46 | Calculated Property |
| η | 0.0002178 | Pa×s | 446.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybutyl propionate.
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