- 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° | -238.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.85 | 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 | 2746.90 | kPa | Joback Calculated Property |
| Tboil | 491.00 ± 2.00 | K | NIST |
| Tc | 682.97 | K | Relay (1.0) Calculated Property |
| Tfus | 262.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.58; 423.96] | J/mol×K | [548.14; 724.68] | 
|
| Cp,gas | 358.58 | J/mol×K | 548.14 | Joback Calculated Property |
| Cp,gas | 370.94 | J/mol×K | 577.56 | Joback Calculated Property |
| Cp,gas | 382.67 | J/mol×K | 606.99 | Joback Calculated Property |
| Cp,gas | 393.82 | J/mol×K | 636.41 | Joback Calculated Property |
| Cp,gas | 404.40 | J/mol×K | 665.83 | Joback Calculated Property |
| Cp,gas | 414.44 | J/mol×K | 695.26 | Joback Calculated Property |
| Cp,gas | 423.96 | J/mol×K | 724.68 | Joback Calculated Property |
| η | [0.0001170; 0.0159623] | Pa×s | [304.36; 548.14] |
|
| η | 0.0159623 | Pa×s | 304.36 | Joback Calculated Property |
| η | 0.0043425 | Pa×s | 344.99 | Joback Calculated Property |
| η | 0.0015543 | Pa×s | 385.62 | Joback Calculated Property |
| η | 0.0006767 | Pa×s | 426.25 | Joback Calculated Property |
| η | 0.0003405 | Pa×s | 466.88 | Joback Calculated Property |
| η | 0.0001912 | Pa×s | 507.51 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 548.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethylheptanoic acid.
Sources
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