- InChI
- InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
- InChI Key
- OILUAKBAMVLXGF-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CC(CC(=O)O)CC(C)(C)C
- Molecular Weight1
- 158.24
- CAS
- 3302-10-1
- Other Names
-
- 3,5,5-Trimethylhexanoic acid
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | 0.6632 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.533 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | 1139.00 | NIST | |
| Tboil | 485.99 | K | Relay (1.0) Calculated Property |
| Tc | 666.48 | K | Relay (1.0) Calculated Property |
| Tfus | 318.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.91; 425.62] | J/mol×K | [547.70; 727.60] | 
|
| Cp,gas | 358.91 | J/mol×K | 547.70 | Joback Calculated Property |
| Cp,gas | 371.56 | J/mol×K | 577.68 | Joback Calculated Property |
| Cp,gas | 383.56 | J/mol×K | 607.67 | Joback Calculated Property |
| Cp,gas | 394.94 | J/mol×K | 637.65 | Joback Calculated Property |
| Cp,gas | 405.72 | J/mol×K | 667.63 | Joback Calculated Property |
| Cp,gas | 415.94 | J/mol×K | 697.62 | Joback Calculated Property |
| Cp,gas | 425.62 | J/mol×K | 727.60 | Joback Calculated Property |
| η | [0.0001102; 0.0282170] | Pa×s | [289.36; 547.70] |
|
| η | 0.0282170 | Pa×s | 289.36 | Joback Calculated Property |
| η | 0.0061539 | Pa×s | 332.42 | Joback Calculated Property |
| η | 0.0019031 | Pa×s | 375.47 | Joback Calculated Property |
| η | 0.0007493 | Pa×s | 418.53 | Joback Calculated Property |
| η | 0.0003510 | Pa×s | 461.59 | Joback Calculated Property |
| η | 0.0001872 | Pa×s | 504.64 | Joback Calculated Property |
| η | 0.0001102 | Pa×s | 547.70 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [385.32; 532.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56981e+01 | |||
| Coefficient B | -4.68506e+03 | |||
| Coefficient C | -8.13040e+01 | |||
| Temperature range, min. | 385.32 | |||
| Temperature range, max. | 532.37 | |||
| Pvap | 1.33 | kPa | 385.32 | Calculated Property |
| Pvap | 2.93 | kPa | 401.66 | Calculated Property |
| Pvap | 5.95 | kPa | 418.00 | Calculated Property |
| Pvap | 11.33 | kPa | 434.34 | Calculated Property |
| Pvap | 20.37 | kPa | 450.68 | Calculated Property |
| Pvap | 34.87 | kPa | 467.01 | Calculated Property |
| Pvap | 57.12 | kPa | 483.35 | Calculated Property |
| Pvap | 90.04 | kPa | 499.69 | Calculated Property |
| Pvap | 137.16 | kPa | 516.03 | Calculated Property |
| Pvap | 202.65 | kPa | 532.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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