- InChI
- InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4+
- InChI Key
- JAVOYFHBJFLMRQ-SNAWJCMRSA-N
- Formula
- C9H16O2
- SMILES
- CC=CC(=O)OCCC(C)C
- Molecular Weight1
- 156.22
- CAS
- 25415-77-4
- Other Names
-
- 2-Butenoic acid, 3-methyl, butyl ester
- Isopentyl 2-butenoate
- (E)-2-Butenoic acid 3-methylbutyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -5327.50 ± 2.90 | kJ/mol | NIST |
| ΔfG° | -131.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -501.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [54.00; 54.00] | kJ/mol |
|
| ΔvapH° | 54.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 54.00 | kJ/mol | NIST |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.152 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | [1074.00; 1088.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Tboil | 485.33 | K | Joback Calculated Property |
| Tc | 670.77 | K | Joback Calculated Property |
| Tfus | 243.27 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.21; 377.46] | J/mol×K | [485.33; 670.77] |
|
| Cp,gas | 306.21 | J/mol×K | 485.33 | Joback Calculated Property |
| Cp,gas | 319.47 | J/mol×K | 516.24 | Joback Calculated Property |
| Cp,gas | 332.17 | J/mol×K | 547.14 | Joback Calculated Property |
| Cp,gas | 344.30 | J/mol×K | 578.05 | Joback Calculated Property |
| Cp,gas | 355.88 | J/mol×K | 608.96 | Joback Calculated Property |
| Cp,gas | 366.93 | J/mol×K | 639.87 | Joback Calculated Property |
| Cp,gas | 377.46 | J/mol×K | 670.77 | Joback Calculated Property |
| η | [0.0001906; 0.0044834] | Pa×s | [243.27; 485.33] |
|
| η | 0.0044834 | Pa×s | 243.27 | Joback Calculated Property |
| η | 0.0018217 | Pa×s | 283.61 | Joback Calculated Property |
| η | 0.0009263 | Pa×s | 323.96 | Joback Calculated Property |
| η | 0.0005471 | Pa×s | 364.30 | Joback Calculated Property |
| η | 0.0003589 | Pa×s | 404.64 | Joback Calculated Property |
| η | 0.0002542 | Pa×s | 444.99 | Joback Calculated Property |
| η | 0.0001906 | Pa×s | 485.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methylbutyl crotonate.
Sources
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