- InChI
- InChI=1S/C13H24O2/c1-2-3-6-11-15-13(14)10-9-12-7-4-5-8-12/h12H,2-11H2,1H3
- InChI Key
- JZKZDGPVKBEGPD-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 212.33
- 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 | 0.6279 | Relay (1.0) Calculated Property | |
| ΔfG° | -215.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 1921.98 | kPa | Joback Calculated Property |
| Inp | 1566.00 | NIST | |
| Tboil | 543.65 | K | Relay (1.0) Calculated Property |
| Tc | 741.57 | K | Relay (1.0) Calculated Property |
| Tfus | 214.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.37; 681.42] | 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 | -4.40040e+01 | |||
| Coefficient B | 1.31572e+00 | |||
| Coefficient C | -7.16200e-04 | |||
| Coefficient D | 1.25900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 264.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 337.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 402.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 461.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 512.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 557.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 596.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 629.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 658.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 681.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048691; 0.0002723] | Pa×s | [289.50; 531.13] |
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 | -1.16638e+01 | |||
| Coefficient B | 1.83514e+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. | 289.50 | |||
| Temperature range, max. | 531.13 | |||
| η | 0.0048691 | Pa×s | 289.50 | Calculated Property |
| η | 0.0028432 | Pa×s | 316.35 | Calculated Property |
| η | 0.0018060 | Pa×s | 343.20 | Calculated Property |
| η | 0.0012253 | Pa×s | 370.04 | Calculated Property |
| η | 0.0008761 | Pa×s | 396.89 | Calculated Property |
| η | 0.0006536 | Pa×s | 423.74 | Calculated Property |
| η | 0.0005049 | Pa×s | 450.59 | Calculated Property |
| η | 0.0004016 | Pa×s | 477.44 | Calculated Property |
| η | 0.0003273 | Pa×s | 504.29 | Calculated Property |
| η | 0.0002723 | Pa×s | 531.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, pentyl ester.
Sources
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