- InChI
- InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h3-15H2,1-2H3
- InChI Key
- MTTLTPIFXXBAIT-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCCCCCCCOC(=O)CCCC
- Molecular Weight1
- 256.43
- 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 | 0.8357 | Relay (1.0) Calculated Property | |
| ΔfG° | -226.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.251 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1323.28 | kPa | Joback Calculated Property |
| Tboil | 560.63 | K | Relay (1.0) Calculated Property |
| Tc | 741.25 | K | Relay (1.0) Calculated Property |
| Tfus | 250.01 ± 1.50 | K | NIST |
| Vc | 0.957 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.24; 852.89] | 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 | 1.37530e+01 | |||
| Coefficient B | 1.46904e+00 | |||
| Coefficient C | -7.52000e-04 | |||
| Coefficient D | 1.22100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 361.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 587.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 648.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 701.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 748.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 788.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 823.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 852.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0219362; 0.0001753] | Pa×s | [250.01; 552.09] |
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 | -1.26461e+01 | |||
| Coefficient B | 2.20672e+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. | 250.01 | |||
| Temperature range, max. | 552.09 | |||
| η | 0.0219362 | Pa×s | 250.01 | Calculated Property |
| η | 0.0077169 | Pa×s | 283.57 | Calculated Property |
| η | 0.0033866 | Pa×s | 317.14 | Calculated Property |
| η | 0.0017400 | Pa×s | 350.70 | Calculated Property |
| η | 0.0010043 | Pa×s | 384.27 | Calculated Property |
| η | 0.0006332 | Pa×s | 417.83 | Calculated Property |
| η | 0.0004275 | Pa×s | 451.40 | Calculated Property |
| η | 0.0003048 | Pa×s | 484.96 | Calculated Property |
| η | 0.0002270 | Pa×s | 518.53 | Calculated Property |
| η | 0.0001753 | Pa×s | 552.09 | Calculated Property |
Similar Compounds
Find more compounds similar to pentanoic acid, undecyl ester.
Sources
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