- InChI
- InChI=1S/C16H30O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h15H,1-14H2,(H,17,18)
- InChI Key
- NYPUDXUXLBGPAZ-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- O=C(O)CCCCCCCCCCC1CCCC1
- Molecular Weight1
- 254.41
- 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 | 0.9530 | Relay (1.0) Calculated Property | |
| ΔfG° | -223.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.162 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1619.37 | kPa | Joback Calculated Property |
| Tboil | 610.87 | K | Relay (1.0) Calculated Property |
| Tc | 829.27 | K | Relay (1.0) Calculated Property |
| Tfus | 333.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.30; 838.86] | 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 | -6.75400e+01 | |||
| Coefficient B | 1.70630e+00 | |||
| Coefficient C | -1.04660e-03 | |||
| Coefficient D | 2.46700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 325.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 416.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 496.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 567.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 629.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 684.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 731.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 772.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 808.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 838.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014771; 0.0002508] | Pa×s | [441.58; 643.30] |
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 | -1.21720e+01 | |||
| Coefficient B | 2.49684e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 441.58 | |||
| Temperature range, max. | 643.30 | |||
| η | 0.0014771 | Pa×s | 441.58 | Calculated Property |
| η | 0.0011240 | Pa×s | 463.99 | Calculated Property |
| η | 0.0008772 | Pa×s | 486.41 | Calculated Property |
| η | 0.0006997 | Pa×s | 508.82 | Calculated Property |
| η | 0.0005688 | Pa×s | 531.23 | Calculated Property |
| η | 0.0004703 | Pa×s | 553.65 | Calculated Property |
| η | 0.0003946 | Pa×s | 576.06 | Calculated Property |
| η | 0.0003355 | Pa×s | 598.48 | Calculated Property |
| η | 0.0002886 | Pa×s | 620.89 | Calculated Property |
| η | 0.0002508 | Pa×s | 643.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentaneundecanoic acid.
Sources
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