Chemical Properties of Z-3-Chloro-2-methyl-prop-2-en-1-ol

InChI

InChI=1S/C4H7ClO/c1-4(2-5)3-6/h2,6H,3H2,1H3/b4-2-

InChI Key

HIAHUGCGQSZTQU-RQOWECAXSA-N

Formula

C4H7ClO

SMILES

CC(=CCl)CO

Molecular Weight¹

106.55

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.29	kJ/mol	Joback Calculated Property
logPoct/wat	1.121		Crippen Calculated Property
McVol	81.030	ml/mol	McGowan Calculated Property
Inp	[758.70; 758.70]
Inp	758.70		NIST
Inp	758.70		NIST
Ip	1566.70		NIST
Tboil	433.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.39; 221.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.56100e+00
Coefficient B			4.44520e-01
Coefficient C			-3.30700e-04
Coefficient D			1.04400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.39	J/mol×K	273.00	Calculated Property
Cp,gas	124.05	J/mol×K	353.78	Calculated Property
Cp,gas	142.85	J/mol×K	434.56	Calculated Property
Cp,gas	159.10	J/mol×K	515.33	Calculated Property
Cp,gas	173.15	J/mol×K	596.11	Calculated Property
Cp,gas	185.31	J/mol×K	676.89	Calculated Property
Cp,gas	195.93	J/mol×K	757.67	Calculated Property
Cp,gas	205.32	J/mol×K	838.44	Calculated Property
Cp,gas	213.83	J/mol×K	919.22	Calculated Property
Cp,gas	221.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Z-3-Chloro-2-methyl-prop-2-en-1-ol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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