- InChI
- InChI=1S/C18H32O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-17(19)18(2,3)4/h5-13,16H2,1-4H3
- InChI Key
- TWCYLXORKMQJIN-UHFFFAOYSA-N
- Formula
- C18H32O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)C(C)(C)C
- Molecular Weight1
- 280.45
- ω : Acentric Factor.
- 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).
- 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 | 0.7259 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.110 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1350.65 | kPa | Joback Calculated Property |
| Inp | [1865.00; 1865.00] |
|
|
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Tboil | 543.91 | K | Relay (1.0) Calculated Property |
| Tc | 753.80 | K | Relay (1.0) Calculated Property |
| Tfus | 264.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.99; 847.94] | J/mol×K | [693.30; 880.54] |
|
| Cp,gas | 748.99 | J/mol×K | 693.30 | Joback Calculated Property |
| Cp,gas | 767.76 | J/mol×K | 724.51 | Joback Calculated Property |
| Cp,gas | 785.58 | J/mol×K | 755.71 | Joback Calculated Property |
| Cp,gas | 802.47 | J/mol×K | 786.92 | Joback Calculated Property |
| Cp,gas | 818.47 | J/mol×K | 818.13 | Joback Calculated Property |
| Cp,gas | 833.62 | J/mol×K | 849.33 | Joback Calculated Property |
| Cp,gas | 847.94 | J/mol×K | 880.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic acid, tridec-2-ynyl ester.
Sources
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