- InChI
- InChI=1S/C9H18O2/c1-4-6-7-9(10)11-8(3)5-2/h8H,4-7H2,1-3H3
- InChI Key
- WKIZFWVLAYCRDF-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCC(=O)OC(C)CC
- Molecular Weight1
- 158.24
- CAS
- 23361-74-2
- Other Names
-
- sec-Butyl pentanoate
- Pentanoic acid, 2-butyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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 | 0.5400 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5489.80 ± 1.70 | kJ/mol | NIST |
| ΔfG° | -287.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -573.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -624.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 19.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [51.00; 51.00] | kJ/mol |
|
| ΔvapH° | 51.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 51.00 | kJ/mol | NIST |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | 1019.00 | NIST | |
| I | 1224.00 | NIST | |
| Tboil | 427.08 | K | Relay (1.0) Calculated Property |
| Tc | 618.85 | K | Relay (1.0) Calculated Property |
| Tfus | 192.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.557 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 41.00 | kJ/mol | 293.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.43; 492.29] | 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 | 1.84340e+01 | |||
| Coefficient B | 8.09960e-01 | |||
| Coefficient C | -3.74400e-04 | |||
| Coefficient D | 3.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 302.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 341.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 376.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 407.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 433.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 456.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 476.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 492.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0099060; 0.0002443] | Pa×s | [218.52; 446.25] |
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 | -1.18699e+01 | |||
| Coefficient B | 1.58542e+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. | 218.52 | |||
| Temperature range, max. | 446.25 | |||
| η | 0.0099060 | Pa×s | 218.52 | Calculated Property |
| η | 0.0046656 | Pa×s | 243.82 | Calculated Property |
| η | 0.0025316 | Pa×s | 269.13 | Calculated Property |
| η | 0.0015259 | Pa×s | 294.43 | Calculated Property |
| η | 0.0009965 | Pa×s | 319.73 | Calculated Property |
| η | 0.0006927 | Pa×s | 345.04 | Calculated Property |
| η | 0.0005060 | Pa×s | 370.34 | Calculated Property |
| η | 0.0003848 | Pa×s | 395.64 | Calculated Property |
| η | 0.0003025 | Pa×s | 420.95 | Calculated Property |
| η | 0.0002443 | Pa×s | 446.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid 1-methylpropyl ester.
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