- InChI
- InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h3H,1,4-6H2,2H3
- InChI Key
- IVOGAUVYWHQIBD-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C=CCCOC(=O)CC
- Molecular Weight1
- 128.17
- Other Names
-
- 3-Butenyl propionate
- Propanoic acid, 3-butenyl ester
- 3-Butenyl propanoate
- 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.
- Ip : 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 | 0.4259 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Inp | [855.00; 894.00] |
|
|
| Inp | 864.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 889.00 | NIST | |
| Ip | [1200.00; 1230.00] |
|
|
| Ip | 1203.00 | NIST | |
| Ip | 1230.00 | NIST | |
| Ip | 1200.00 | NIST | |
| Ip | 1203.00 | NIST | |
| Tboil | 414.81 | K | Relay (1.0) Calculated Property |
| Tc | 602.45 | K | Relay (1.0) Calculated Property |
| Tfus | 186.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.51; 360.06] | 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 | 1.89430e+01 | |||
| Coefficient B | 5.94020e-01 | |||
| Coefficient C | -2.85300e-04 | |||
| Coefficient D | 3.24000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 225.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 278.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 300.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 319.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 335.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 349.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 360.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053740; 0.0002526] | Pa×s | [209.22; 413.71] |
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 | -1.14116e+01 | |||
| Coefficient B | 1.29412e+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. | 209.22 | |||
| Temperature range, max. | 413.71 | |||
| η | 0.0053740 | Pa×s | 209.22 | Calculated Property |
| η | 0.0029319 | Pa×s | 231.94 | Calculated Property |
| η | 0.0017822 | Pa×s | 254.66 | Calculated Property |
| η | 0.0011754 | Pa×s | 277.38 | Calculated Property |
| η | 0.0008256 | Pa×s | 300.10 | Calculated Property |
| η | 0.0006095 | Pa×s | 322.82 | Calculated Property |
| η | 0.0004683 | Pa×s | 345.54 | Calculated Property |
| η | 0.0003717 | Pa×s | 368.26 | Calculated Property |
| η | 0.0003030 | Pa×s | 390.99 | Calculated Property |
| η | 0.0002526 | Pa×s | 413.71 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-BUTEN-1-OL, PROPANOATE.
Sources
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