- InChI
- InChI=1S/C9H18O2/c1-4-5-6-9(2,3)7-8(10)11/h4-7H2,1-3H3,(H,10,11)
- InChI Key
- KLRHFTOZNSFIHY-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCC(C)(C)CC(=O)O
- Molecular Weight1
- 158.24
- CAS
- 67061-30-7
- 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 | 0.7035 | Relay (1.0) Calculated Property | |
| ΔfG° | -316.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.678 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Tboil | 491.00 ± 2.00 | K | NIST |
| Tc | 693.33 | K | Relay (1.0) Calculated Property |
| Tfus | 252.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.13; 431.88] | J/mol×K | [547.80; 741.19] | 
|
| Cp,gas | 361.13 | J/mol×K | 547.80 | Joback Calculated Property |
| Cp,gas | 374.71 | J/mol×K | 580.03 | Joback Calculated Property |
| Cp,gas | 387.52 | J/mol×K | 612.26 | Joback Calculated Property |
| Cp,gas | 399.60 | J/mol×K | 644.50 | Joback Calculated Property |
| Cp,gas | 411.00 | J/mol×K | 676.73 | Joback Calculated Property |
| Cp,gas | 421.74 | J/mol×K | 708.96 | Joback Calculated Property |
| Cp,gas | 431.88 | J/mol×K | 741.19 | Joback Calculated Property |
| η | [0.0002237; 0.0019440] | Pa×s | [354.21; 547.80] |
|
| η | 0.0019440 | Pa×s | 354.21 | Joback Calculated Property |
| η | 0.0011664 | Pa×s | 386.48 | Joback Calculated Property |
| η | 0.0007571 | Pa×s | 418.74 | Joback Calculated Property |
| η | 0.0005228 | Pa×s | 451.00 | Joback Calculated Property |
| η | 0.0003793 | Pa×s | 483.27 | Joback Calculated Property |
| η | 0.0002865 | Pa×s | 515.53 | Joback Calculated Property |
| η | 0.0002237 | Pa×s | 547.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethylheptanoic acid.
Sources
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