- InChI
- InChI=1S/C17H32O2/c1-2-3-4-5-6-7-10-15-19-17(18)14-13-16-11-8-9-12-16/h16H,2-15H2,1H3
- InChI Key
- CBEWPYVMEYHIPC-UHFFFAOYSA-N
- Formula
- C17H32O2
- SMILES
- CCCCCCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 268.43
- 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).
- 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 | 0.7770 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.251 | Crippen Calculated Property | |
| McVol | 246.970 | ml/mol | McGowan Calculated Property |
| Pc | 1408.01 | kPa | Joback Calculated Property |
| Tboil | 596.14 | K | Relay (1.0) Calculated Property |
| Tc | 786.88 | K | Relay (1.0) Calculated Property |
| Tfus | 245.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.23; 887.78] | 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 | -4.76400e+01 | |||
| Coefficient B | 1.69572e+00 | |||
| Coefficient C | -9.33800e-04 | |||
| Coefficient D | 1.73500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 349.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 443.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 527.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 601.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 668.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 726.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 776.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 819.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 856.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 887.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036437; 0.0002075] | Pa×s | [334.58; 590.58] |
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 | -1.22254e+01 | |||
| Coefficient B | 2.21178e+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. | 334.58 | |||
| Temperature range, max. | 590.58 | |||
| η | 0.0036437 | Pa×s | 334.58 | Calculated Property |
| η | 0.0021707 | Pa×s | 363.02 | Calculated Property |
| η | 0.0013942 | Pa×s | 391.47 | Calculated Property |
| η | 0.0009509 | Pa×s | 419.91 | Calculated Property |
| η | 0.0006808 | Pa×s | 448.36 | Calculated Property |
| η | 0.0005072 | Pa×s | 476.80 | Calculated Property |
| η | 0.0003906 | Pa×s | 505.24 | Calculated Property |
| η | 0.0003094 | Pa×s | 533.69 | Calculated Property |
| η | 0.0002508 | Pa×s | 562.13 | Calculated Property |
| η | 0.0002075 | Pa×s | 590.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, nonyl ester.
Sources
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