- InChI
- InChI=1S/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8)
- InChI Key
- SCFWAOWWAANBPY-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- C=CC(C)(C)C(=O)O
- Molecular Weight1
- 114.14
- CAS
- 10276-09-2
- Other Names
-
- 2,2-Dimethyl-3-butenoic acid
- CH2=CHC(CH3)2COOH
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -175.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 1.283 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Tboil | 458.20 | K | NIST |
| Tc | 661.45 | K | Joback Calculated Property |
| Tfus | 268.79 | K | Joback Calculated Property |
| Vc | 0.366 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.92; 256.93] | J/mol×K | [476.18; 661.45] | 
|
| Cp,gas | 209.92 | J/mol×K | 476.18 | Joback Calculated Property |
| Cp,gas | 219.00 | J/mol×K | 507.06 | Joback Calculated Property |
| Cp,gas | 227.55 | J/mol×K | 537.94 | Joback Calculated Property |
| Cp,gas | 235.59 | J/mol×K | 568.82 | Joback Calculated Property |
| Cp,gas | 243.15 | J/mol×K | 599.70 | Joback Calculated Property |
| Cp,gas | 250.25 | J/mol×K | 630.58 | Joback Calculated Property |
| Cp,gas | 256.93 | J/mol×K | 661.45 | Joback Calculated Property |
| η | [0.0002142; 0.0284161] | Pa×s | [268.79; 476.18] |
|
| η | 0.0284161 | Pa×s | 268.79 | Joback Calculated Property |
| η | 0.0079106 | Pa×s | 303.36 | Joback Calculated Property |
| η | 0.0028607 | Pa×s | 337.92 | Joback Calculated Property |
| η | 0.0012494 | Pa×s | 372.49 | Joback Calculated Property |
| η | 0.0006281 | Pa×s | 407.05 | Joback Calculated Property |
| η | 0.0003517 | Pa×s | 441.62 | Joback Calculated Property |
| η | 0.0002142 | Pa×s | 476.18 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 372.20 | K | 3.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [348.52; 484.27] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56743e+01 | |||
| Coefficient B | -4.30836e+03 | |||
| Coefficient C | -6.85160e+01 | |||
| Temperature range, min. | 348.52 | |||
| Temperature range, max. | 484.27 | |||
| Pvap | 1.33 | kPa | 348.52 | Calculated Property |
| Pvap | 2.93 | kPa | 363.60 | Calculated Property |
| Pvap | 5.95 | kPa | 378.69 | Calculated Property |
| Pvap | 11.34 | kPa | 393.77 | Calculated Property |
| Pvap | 20.39 | kPa | 408.85 | Calculated Property |
| Pvap | 34.90 | kPa | 423.94 | Calculated Property |
| Pvap | 57.17 | kPa | 439.02 | Calculated Property |
| Pvap | 90.09 | kPa | 454.10 | Calculated Property |
| Pvap | 137.21 | kPa | 469.19 | Calculated Property |
| Pvap | 202.67 | kPa | 484.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butenoic acid, 2,2-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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