- InChI
- InChI=1S/C9H16O2/c1-11-9(10)7-6-8-4-2-3-5-8/h8H,2-7H2,1H3
- InChI Key
- FGPDDJMBTHHHRK-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- COC(=O)CCC1CCCC1
- Molecular Weight1
- 156.22
- 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 | 0.4411 | Relay (1.0) Calculated Property | |
| ΔfG° | -248.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Inp | [1180.00; 1180.00] |
|
|
| Inp | 1180.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Tboil | 474.81 | K | Relay (1.0) Calculated Property |
| Tc | 686.79 | K | Relay (1.0) Calculated Property |
| Tfus | 203.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.52; 475.05] | 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 | -4.03680e+01 | |||
| Coefficient B | 9.35720e-01 | |||
| Coefficient C | -4.98600e-04 | |||
| Coefficient D | 7.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 278.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 320.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 356.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 388.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 416.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 439.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 459.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 475.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054753; 0.0003046] | Pa×s | [244.42; 473.80] |
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 | -1.11747e+01 | |||
| Coefficient B | 1.45850e+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. | 244.42 | |||
| Temperature range, max. | 473.80 | |||
| η | 0.0054753 | Pa×s | 244.42 | Calculated Property |
| η | 0.0031167 | Pa×s | 269.91 | Calculated Property |
| η | 0.0019553 | Pa×s | 295.39 | Calculated Property |
| η | 0.0013210 | Pa×s | 320.88 | Calculated Property |
| η | 0.0009454 | Pa×s | 346.37 | Calculated Property |
| η | 0.0007084 | Pa×s | 371.85 | Calculated Property |
| η | 0.0005508 | Pa×s | 397.34 | Calculated Property |
| η | 0.0004415 | Pa×s | 422.83 | Calculated Property |
| η | 0.0003629 | Pa×s | 448.32 | Calculated Property |
| η | 0.0003046 | Pa×s | 473.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, methyl ester.
Sources
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