- InChI
- InChI=1S/C18H32O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20-18(19)16-6-4-2/h3-13,16-17H2,1-2H3
- InChI Key
- ZQZHZXGGYFSZHR-UHFFFAOYSA-N
- Formula
- C18H32O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)CCCC
- Molecular Weight1
- 280.45
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 69.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.97 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 5.254 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1331.98 | kPa | Joback Calculated Property |
| Inp | [2010.70; 2010.70] |
|
|
| Inp | 2010.70 | NIST | |
| Inp | 2010.70 | NIST | |
| Tboil | 696.53 | K | Joback Calculated Property |
| Tc | 876.84 | K | Joback Calculated Property |
| Tfus | 470.88 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.85; 844.04] | J/mol×K | [696.53; 876.84] |
|
| Cp,gas | 746.85 | J/mol×K | 696.53 | Joback Calculated Property |
| Cp,gas | 765.14 | J/mol×K | 726.58 | Joback Calculated Property |
| Cp,gas | 782.56 | J/mol×K | 756.63 | Joback Calculated Property |
| Cp,gas | 799.14 | J/mol×K | 786.68 | Joback Calculated Property |
| Cp,gas | 814.90 | J/mol×K | 816.73 | Joback Calculated Property |
| Cp,gas | 829.86 | J/mol×K | 846.79 | Joback Calculated Property |
| Cp,gas | 844.04 | J/mol×K | 876.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, tridec-2-ynyl ester.
Sources
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