- InChI
- InChI=1S/C22H42O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(23)24-20-6-4-2/h4H,2-3,5-21H2,1H3
- InChI Key
- IZKMGIHXJFVCKF-UHFFFAOYSA-N
- Formula
- C22H42O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 354.57
- 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 | 1.0528 | Relay (1.0) Calculated Property | |
| ΔfG° | -193.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.587 | Crippen Calculated Property | |
| McVol | 329.850 | ml/mol | McGowan Calculated Property |
| Pc | 918.27 | kPa | Joback Calculated Property |
| Inp | [2412.00; 2412.00] |
|
|
| Inp | 2412.00 | NIST | |
| Inp | 2412.00 | NIST | |
| Tboil | 642.82 | K | Relay (1.0) Calculated Property |
| Tc | 786.04 | K | Relay (1.0) Calculated Property |
| Tfus | 273.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.271 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1028.12; 1132.41] | J/mol×K | [780.28; 957.07] |
|
| Cp,gas | 1028.12 | J/mol×K | 780.28 | Joback Calculated Property |
| Cp,gas | 1048.08 | J/mol×K | 809.75 | Joback Calculated Property |
| Cp,gas | 1066.97 | J/mol×K | 839.21 | Joback Calculated Property |
| Cp,gas | 1084.83 | J/mol×K | 868.68 | Joback Calculated Property |
| Cp,gas | 1101.67 | J/mol×K | 898.14 | Joback Calculated Property |
| Cp,gas | 1117.53 | J/mol×K | 927.61 | Joback Calculated Property |
| Cp,gas | 1132.41 | J/mol×K | 957.07 | Joback Calculated Property |
| η | [0.0000395; 0.0012280] | Pa×s | [400.50; 780.28] |
|
| η | 0.0012280 | Pa×s | 400.50 | Joback Calculated Property |
| η | 0.0004684 | Pa×s | 463.80 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 527.09 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 590.39 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 653.69 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 716.98 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 780.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl heptadecyl ester.
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