- InChI
- InChI=1S/C10H20O2/c1-7(2)5-6-9(8(3)4)10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)
- InChI Key
- ZOINHQMIOAPOSQ-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CC(C)CCC(C(=O)O)C(C)C
- Molecular Weight1
- 172.27
- 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).
- 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 | 0.6806 | Relay (1.0) Calculated Property | |
| ΔfG° | -317.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.779 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2345.09 | kPa | Joback Calculated Property |
| I | [2034.00; 2034.00] |
|
|
| I | 2034.00 | NIST | |
| I | 2034.00 | NIST | |
| Tboil | 492.02 | K | Relay (1.0) Calculated Property |
| Tc | 698.57 | K | Relay (1.0) Calculated Property |
| Tfus | 284.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.30; 547.63] | 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 | -6.64800e+00 | |||
| Coefficient B | 1.02238e+00 | |||
| Coefficient C | -6.02400e-04 | |||
| Coefficient D | 1.34300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 230.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 285.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 334.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 417.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 451.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 480.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 506.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 528.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 547.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035773; 0.0002354] | Pa×s | [318.06; 534.98] |
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 | -1.23439e+01 | |||
| Coefficient B | 2.13444e+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. | 318.06 | |||
| Temperature range, max. | 534.98 | |||
| η | 0.0035773 | Pa×s | 318.06 | Calculated Property |
| η | 0.0022298 | Pa×s | 342.16 | Calculated Property |
| η | 0.0014790 | Pa×s | 366.27 | Calculated Property |
| η | 0.0010321 | Pa×s | 390.37 | Calculated Property |
| η | 0.0007510 | Pa×s | 414.47 | Calculated Property |
| η | 0.0005659 | Pa×s | 438.57 | Calculated Property |
| η | 0.0004391 | Pa×s | 462.68 | Calculated Property |
| η | 0.0003495 | Pa×s | 486.78 | Calculated Property |
| η | 0.0002842 | Pa×s | 510.88 | Calculated Property |
| η | 0.0002354 | Pa×s | 534.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropyl-5-methyl-hexanoic acid.
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