- InChI
- InChI=1S/C13H18O2/c1-4-5-6-13(14)15-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3
- InChI Key
- PIHWIWOYAKQTRP-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CCCCC(=O)Oc1cc(C)cc(C)c1
- Molecular Weight1
- 206.28
- 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).
- 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 | 0.6628 | Relay (... Calculated Property | |
| ΔfG° | -82.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.26 | eV | Relay (... Calculated Property |
| log10WS | -4.04 | Relay (... Calculated Property | |
| logPoct/wat | 3.399 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1534.00; 1534.00] |
|
|
| Inp | 1534.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Tboil | 536.29 | K | Relay (... Calculated Property |
| Tc | 746.78 | K | Relay (... Calculated Property |
| Tfus | 273.52 | K | Relay (... Calculated Property |
| Vc | 0.661 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.69; 523.06] | J/mol×K | [609.77; 814.57] |
|
| Cp,gas | 442.69 | J/mol×K | 609.77 | Joback Calculated Property |
| Cp,gas | 458.04 | J/mol×K | 643.90 | Joback Calculated Property |
| Cp,gas | 472.59 | J/mol×K | 678.04 | Joback Calculated Property |
| Cp,gas | 486.36 | J/mol×K | 712.17 | Joback Calculated Property |
| Cp,gas | 499.35 | J/mol×K | 746.30 | Joback Calculated Property |
| Cp,gas | 511.58 | J/mol×K | 780.44 | Joback Calculated Property |
| Cp,gas | 523.06 | J/mol×K | 814.57 | Joback Calculated Property |
| η | [0.0001624; 0.0013102] | Pa×s | [359.89; 609.77] |
|
| η | 0.0013102 | Pa×s | 359.89 | Joback Calculated Property |
| η | 0.0007724 | Pa×s | 401.54 | Joback Calculated Property |
| η | 0.0005029 | Pa×s | 443.18 | Joback Calculated Property |
| η | 0.0003525 | Pa×s | 484.83 | Joback Calculated Property |
| η | 0.0002613 | Pa×s | 526.48 | Joback Calculated Property |
| η | 0.0002024 | Pa×s | 568.12 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 609.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 3,5-dimethylphenyl ester.
Sources
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