- InChI
- InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-11-16-20-18(19)15-14-17-12-9-10-13-17/h17H,2-16H2,1H3
- InChI Key
- VNQAHVRLXYNRKW-UHFFFAOYSA-N
- Formula
- C18H34O2
- SMILES
- CCCCCCCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 282.46
- 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 | 0.8126 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.641 | Crippen Calculated Property | |
| McVol | 261.060 | ml/mol | McGowan Calculated Property |
| Pc | 1311.80 | kPa | Joback Calculated Property |
| Inp | [2048.20; 2048.20] |
|
|
| Inp | 2048.20 | NIST | |
| Inp | 2048.20 | NIST | |
| Tboil | 605.00 | K | Relay (1.0) Calculated Property |
| Tc | 796.25 | K | Relay (1.0) Calculated Property |
| Tfus | 252.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.44; 939.37] | 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 | -4.85490e+01 | |||
| Coefficient B | 1.79072e+00 | |||
| Coefficient C | -9.88200e-04 | |||
| Coefficient D | 1.85400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 370.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 469.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 558.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 637.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 707.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 768.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 821.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 867.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 906.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 939.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033260; 0.0001900] | Pa×s | [345.85; 606.03] |
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 | -1.23734e+01 | |||
| Coefficient B | 2.30594e+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. | 345.85 | |||
| Temperature range, max. | 606.03 | |||
| η | 0.0033260 | Pa×s | 345.85 | Calculated Property |
| η | 0.0019886 | Pa×s | 374.76 | Calculated Property |
| η | 0.0012799 | Pa×s | 403.67 | Calculated Property |
| η | 0.0008737 | Pa×s | 432.58 | Calculated Property |
| η | 0.0006257 | Pa×s | 461.49 | Calculated Property |
| η | 0.0004660 | Pa×s | 490.40 | Calculated Property |
| η | 0.0003587 | Pa×s | 519.31 | Calculated Property |
| η | 0.0002838 | Pa×s | 548.21 | Calculated Property |
| η | 0.0002299 | Pa×s | 577.12 | Calculated Property |
| η | 0.0001900 | Pa×s | 606.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, decyl ester.
Sources
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