- InChI
- InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-12-14-17-15(16)13-6-4-2/h3-14H2,1-2H3
- InChI Key
- CNLMHVUZVNKYJA-UHFFFAOYSA-N
- Formula
- C15H30O2
- SMILES
- CCCCCCCCCCOC(=O)CCCC
- Molecular Weight1
- 242.40
- CAS
- 5454-12-6
- Other Names
-
- Valeric acid, decyl ester
- decyl valerate
- 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 | 0.8005 | Relay (1.0) Calculated Property | |
| ΔfG° | -234.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.861 | Crippen Calculated Property | |
| McVol | 229.650 | ml/mol | McGowan Calculated Property |
| Pc | 1420.78 | kPa | Joback Calculated Property |
| Tboil | 549.78 | K | Relay (1.0) Calculated Property |
| Tc | 730.37 | K | Relay (1.0) Calculated Property |
| Tfus | 251.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.03; 801.30] | 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 | 1.46620e+01 | |||
| Coefficient B | 1.37404e+00 | |||
| Coefficient C | -6.97600e-04 | |||
| Coefficient D | 1.10200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 340.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 418.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 489.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 552.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 609.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 659.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 703.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 741.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 773.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 801.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041353; 0.0001909] | Pa×s | [301.14; 536.20] |
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 | -1.25034e+01 | |||
| Coefficient B | 2.11256e+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. | 301.14 | |||
| Temperature range, max. | 536.20 | |||
| η | 0.0041353 | Pa×s | 301.14 | Calculated Property |
| η | 0.0023624 | Pa×s | 327.26 | Calculated Property |
| η | 0.0014661 | Pa×s | 353.38 | Calculated Property |
| η | 0.0009716 | Pa×s | 379.49 | Calculated Property |
| η | 0.0006789 | Pa×s | 405.61 | Calculated Property |
| η | 0.0004954 | Pa×s | 431.73 | Calculated Property |
| η | 0.0003747 | Pa×s | 457.85 | Calculated Property |
| η | 0.0002921 | Pa×s | 483.96 | Calculated Property |
| η | 0.0002336 | Pa×s | 510.08 | Calculated Property |
| η | 0.0001909 | Pa×s | 536.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, decyl ester.
Sources
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