- InChI
- InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-27-25(26)22-21-24-19-16-17-20-24/h24H,2-23H2,1H3
- InChI Key
- WJHIYBFCQQGWNY-UHFFFAOYSA-N
- Formula
- C25H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCC1CCC
C1 - Molecular Weight1
- 380.65
- 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 | 1.0591 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -841.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.371 | Crippen Calculated Property | |
| McVol | 359.690 | ml/mol | McGowan Calculated Property |
| Pc | 848.50 | kPa | Joback Calculated Property |
| Inp | [2701.20; 2701.20] |
|
|
| Inp | 2701.20 | NIST | |
| Inp | 2701.20 | NIST | |
| Tboil | 652.09 | K | Relay (1.0) Calculated Property |
| Tc | 850.20 | K | Relay (1.0) Calculated Property |
| Tfus | 288.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.372 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.94; 1300.51] | 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 | -5.49120e+01 | |||
| Coefficient B | 2.45572e+00 | |||
| Coefficient C | -1.36900e-03 | |||
| Coefficient D | 2.68700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 518.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 654.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 775.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 883.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 979.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1063.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1136.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1200.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1254.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1300.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015228; 0.0000846] | Pa×s | [424.74; 724.94] |
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 | -1.34681e+01 | |||
| Coefficient B | 2.96506e+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. | 424.74 | |||
| Temperature range, max. | 724.94 | |||
| η | 0.0015228 | Pa×s | 424.74 | Calculated Property |
| η | 0.0009160 | Pa×s | 458.10 | Calculated Property |
| η | 0.0005903 | Pa×s | 491.45 | Calculated Property |
| η | 0.0004023 | Pa×s | 524.81 | Calculated Property |
| η | 0.0002870 | Pa×s | 558.16 | Calculated Property |
| η | 0.0002127 | Pa×s | 591.52 | Calculated Property |
| η | 0.0001628 | Pa×s | 624.87 | Calculated Property |
| η | 0.0001280 | Pa×s | 658.23 | Calculated Property |
| η | 0.0001030 | Pa×s | 691.58 | Calculated Property |
| η | 0.0000846 | Pa×s | 724.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, heptadecyl ester.
Sources
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