- InChI
- InChI=1S/C16H30O2/c1-2-3-4-5-6-10-13-16(17)18-14-15-11-8-7-9-12-15/h15H,2-14H2,1H3
- InChI Key
- CDDROYYAMGWVDA-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCCCC(=O)OCC1CCCCC1
- 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).
- 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 | 0.7156 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.861 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1545.13 | kPa | Joback Calculated Property |
| Inp | [1848.00; 1848.00] |
|
|
| Inp | 1848.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Tboil | 591.23 | K | Relay (1.0) Calculated Property |
| Tc | 781.91 | K | Relay (1.0) Calculated Property |
| Tfus | 246.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.868 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.12; 837.97] | 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 | -5.18520e+01 | |||
| Coefficient B | 1.59112e+00 | |||
| Coefficient C | -8.33000e-04 | |||
| Coefficient D | 1.31700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 323.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 412.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 493.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 564.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 628.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 684.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 732.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 774.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 809.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 837.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045624; 0.0001711] | Pa×s | [319.79; 581.93] |
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 | -1.26790e+01 | |||
| Coefficient B | 2.33099e+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. | 319.79 | |||
| Temperature range, max. | 581.93 | |||
| η | 0.0045624 | Pa×s | 319.79 | Calculated Property |
| η | 0.0024827 | Pa×s | 348.92 | Calculated Property |
| η | 0.0014839 | Pa×s | 378.04 | Calculated Property |
| η | 0.0009546 | Pa×s | 407.17 | Calculated Property |
| η | 0.0006514 | Pa×s | 436.30 | Calculated Property |
| η | 0.0004663 | Pa×s | 465.42 | Calculated Property |
| η | 0.0003472 | Pa×s | 494.55 | Calculated Property |
| η | 0.0002671 | Pa×s | 523.68 | Calculated Property |
| η | 0.0002113 | Pa×s | 552.81 | Calculated Property |
| η | 0.0001711 | Pa×s | 581.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonoic acid, cyclohexylmethyl ester.
Sources
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