- InChI
- InChI=1S/C17H30O2/c1-5-6-7-8-9-10-11-12-13-17(18)19-16(4)14-15(2)3/h1,15-16H,6-14H2,2-4H3
- InChI Key
- BYXWOWQRJAMVFW-UHFFFAOYSA-N
- Formula
- C17H30O2
- SMILES
- C#CCCCCCCCCC(=O)OC(C)CC(C)C
- Molecular Weight1
- 266.42
- 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 | 0.7126 | Relay (1.0) Calculated Property | |
| ΔfG° | 76.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.718 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1434.80 | kPa | Joback Calculated Property |
| Inp | [1776.00; 1776.00] |
|
|
| Inp | 1776.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Tboil | 560.08 | K | Relay (1.0) Calculated Property |
| Tc | 740.15 | K | Relay (1.0) Calculated Property |
| Tfus | 276.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.903 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.61; 781.55] | J/mol×K | [653.89; 832.78] |
|
| Cp,gas | 685.61 | J/mol×K | 653.89 | Joback Calculated Property |
| Cp,gas | 703.64 | J/mol×K | 683.70 | Joback Calculated Property |
| Cp,gas | 720.83 | J/mol×K | 713.52 | Joback Calculated Property |
| Cp,gas | 737.19 | J/mol×K | 743.33 | Joback Calculated Property |
| Cp,gas | 752.75 | J/mol×K | 773.15 | Joback Calculated Property |
| Cp,gas | 767.53 | J/mol×K | 802.96 | Joback Calculated Property |
| Cp,gas | 781.55 | J/mol×K | 832.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, 4-methyl-2-pentyl ester.
Sources
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