- InChI
- InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4+
- InChI Key
- MZNHUHNWGVUEAT-XBXARRHUSA-N
- Formula
- C10H18O2
- SMILES
- CC=CC(=O)OCCCCCC
- Molecular Weight1
- 170.25
- CAS
- 19089-92-0
- Other Names
-
- Crotonic acid, hexyl ester
- Hexyl crotonate
- Hexyl 2-butenoate
- n-Hexyl 2-butenoate
- 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.
- I : 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 | 0.5830 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | [1202.00; 1202.00] |
|
|
| Inp | 1202.00 | NIST | |
| Inp | 1202.00 | NIST | |
| I | [1226.00; 1226.00] |
|
|
| I | 1226.00 | NIST | |
| I | 1226.00 | NIST | |
| Tboil | 475.63 | K | Relay (1.0) Calculated Property |
| Tc | 669.63 | K | Relay (1.0) Calculated Property |
| Tfus | 228.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.74; 425.13] | J/mol×K | [508.65; 688.43] |
|
| Cp,gas | 350.74 | J/mol×K | 508.65 | Joback Calculated Property |
| Cp,gas | 364.56 | J/mol×K | 538.61 | Joback Calculated Property |
| Cp,gas | 377.79 | J/mol×K | 568.58 | Joback Calculated Property |
| Cp,gas | 390.44 | J/mol×K | 598.54 | Joback Calculated Property |
| Cp,gas | 402.54 | J/mol×K | 628.50 | Joback Calculated Property |
| Cp,gas | 414.10 | J/mol×K | 658.47 | Joback Calculated Property |
| Cp,gas | 425.13 | J/mol×K | 688.43 | Joback Calculated Property |
| η | [0.0001880; 0.0030444] | Pa×s | [269.54; 508.65] |
|
| η | 0.0030444 | Pa×s | 269.54 | Joback Calculated Property |
| η | 0.0014196 | Pa×s | 309.39 | Joback Calculated Property |
| η | 0.0007878 | Pa×s | 349.24 | Joback Calculated Property |
| η | 0.0004933 | Pa×s | 389.10 | Joback Calculated Property |
| η | 0.0003369 | Pa×s | 428.95 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 468.80 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 508.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, hexyl ester.
Sources
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