- InChI
- InChI=1S/C18H34O2/c1-4-6-7-8-9-10-11-12-13-14-16-20-18(19)17(3)15-5-2/h5,17H,2,4,6-16H2,1,3H3
- InChI Key
- OCTXRPXMWDITBY-UHFFFAOYSA-N
- Formula
- C18H34O2
- SMILES
- C=CCC(C)C(=O)OCCCCCCCCCCCC
- Molecular Weight1
- 282.46
- 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).
- 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° | -47.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.76 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen Calculated Property | |
| logPoct/wat | 5.663 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1231.15 | kPa | Joback Calculated Property |
| Inp | [1907.00; 1907.00] |
|
|
| Inp | 1907.00 | NIST | |
| Inp | 1907.00 | NIST | |
| Tboil | 683.77 | K | Joback Calculated Property |
| Tc | 855.40 | K | Joback Calculated Property |
| Tfus | 348.02 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.22; 865.07] | J/mol×K | [683.77; 855.40] |
|
| Cp,gas | 766.22 | J/mol×K | 683.77 | Joback Calculated Property |
| Cp,gas | 784.74 | J/mol×K | 712.38 | Joback Calculated Property |
| Cp,gas | 802.42 | J/mol×K | 740.98 | Joback Calculated Property |
| Cp,gas | 819.26 | J/mol×K | 769.59 | Joback Calculated Property |
| Cp,gas | 835.31 | J/mol×K | 798.19 | Joback Calculated Property |
| Cp,gas | 850.57 | J/mol×K | 826.80 | Joback Calculated Property |
| Cp,gas | 865.07 | J/mol×K | 855.40 | Joback Calculated Property |
| η | [0.0000930; 0.0025474] | Pa×s | [348.02; 683.77] |
|
| η | 0.0025474 | Pa×s | 348.02 | Joback Calculated Property |
| η | 0.0010012 | Pa×s | 403.98 | Joback Calculated Property |
| η | 0.0004939 | Pa×s | 459.94 | Joback Calculated Property |
| η | 0.0002840 | Pa×s | 515.89 | Joback Calculated Property |
| η | 0.0001820 | Pa×s | 571.85 | Joback Calculated Property |
| η | 0.0001263 | Pa×s | 627.81 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 683.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid, 2-methyl-, dodecyl ester.
Sources
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