- 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
- 172.26
- CAS
- 4384-07-0
- 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° | -239.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.23 | 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 | 2502.50 | 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 | 689.03 | K | Relay (1.0) Calculated Property |
| Tfus | 293.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.87; 474.69] | J/mol×K | [572.93; 748.66] |
|
| Cp,gas | 403.87 | J/mol×K | 572.93 | Joback Calculated Property |
| Cp,gas | 417.12 | J/mol×K | 602.22 | Joback Calculated Property |
| Cp,gas | 429.76 | J/mol×K | 631.51 | Joback Calculated Property |
| Cp,gas | 441.83 | J/mol×K | 660.79 | Joback Calculated Property |
| Cp,gas | 453.33 | J/mol×K | 690.08 | Joback Calculated Property |
| Cp,gas | 464.28 | J/mol×K | 719.37 | Joback Calculated Property |
| Cp,gas | 474.69 | J/mol×K | 748.66 | Joback Calculated Property |
| η | [0.0000862; 0.0637662] | Pa×s | [268.21; 572.93] |
|
| η | 0.0637662 | Pa×s | 268.21 | Joback Calculated Property |
| η | 0.0088269 | Pa×s | 319.00 | Joback Calculated Property |
| η | 0.0021034 | Pa×s | 369.78 | Joback Calculated Property |
| η | 0.0007087 | Pa×s | 420.57 | Joback Calculated Property |
| η | 0.0003019 | Pa×s | 471.36 | Joback Calculated Property |
| η | 0.0001518 | Pa×s | 522.14 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 572.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropyl-5-methyl-hexanoic acid.
Sources
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