- InChI
- InChI=1S/C10H18O2/c1-4-6-7-8-12-10(11)9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5-
- InChI Key
- XJWDRSSGOHXOLQ-UITAMQMPSA-N
- Formula
- C10H18O2
- SMILES
- CC=C(C)C(=O)OCCCCC
- Molecular Weight1
- 170.25
- CAS
- 7785-63-9
- Other Names
-
- pentyl 2-methylisocrotonate
- (Z)-Pentyl 2-methylbut-2-enoate
- 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 | 0.5417 | Relay (1.0) Calculated Property | |
| ΔfG° | -128.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | 1189.80 | NIST | |
| Tboil | 474.11 | K | Relay (1.0) Calculated Property |
| Tc | 661.76 | K | Relay (1.0) Calculated Property |
| Tfus | 219.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.573 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.59; 425.96] | J/mol×K | [508.53; 691.44] | 
|
| Cp,gas | 350.59 | J/mol×K | 508.53 | Joback Calculated Property |
| Cp,gas | 364.62 | J/mol×K | 539.01 | Joback Calculated Property |
| Cp,gas | 378.03 | J/mol×K | 569.50 | Joback Calculated Property |
| Cp,gas | 390.86 | J/mol×K | 599.98 | Joback Calculated Property |
| Cp,gas | 403.11 | J/mol×K | 630.47 | Joback Calculated Property |
| Cp,gas | 414.81 | J/mol×K | 660.95 | Joback Calculated Property |
| Cp,gas | 425.96 | J/mol×K | 691.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2-methyl-, pentyl ester, (Z)-.
Sources
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