Chemical Properties of (Z)-3-Hexen-1-ol, chloroacetate

InChI

InChI=1S/C8H13ClO2/c1-2-3-4-5-6-11-8(10)7-9/h3-4H,2,5-7H2,1H3/b4-3+

InChI Key

WPCPCOLQASJMNK-ARJAWSKDSA-N

Formula

C8H13ClO2

SMILES

CC/C=C\CCOC(=O)CCl

Molecular Weight¹

176.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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 : 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
ΔfH°gas	-464.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.24	kJ/mol	Joback Calculated Property
ΔvapH°	55.80	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.125		Crippen Calculated Property
McVol	138.960	ml/mol	McGowan Calculated Property
Inp	[1182.00; 1182.00]
Inp	1182.00		NIST
Inp	1182.00		NIST
I	1701.00		NIST
Tboil	479.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[190.93; 417.85]	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			1.97340e+01
Coefficient B			7.35820e-01
Coefficient C			-4.21000e-04
Coefficient D			8.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.93	J/mol×K	273.00	Calculated Property
Cp,gas	231.05	J/mol×K	353.78	Calculated Property
Cp,gas	266.82	J/mol×K	434.56	Calculated Property
Cp,gas	298.52	J/mol×K	515.33	Calculated Property
Cp,gas	326.41	J/mol×K	596.11	Calculated Property
Cp,gas	350.74	J/mol×K	676.89	Calculated Property
Cp,gas	371.79	J/mol×K	757.67	Calculated Property
Cp,gas	389.82	J/mol×K	838.44	Calculated Property
Cp,gas	405.08	J/mol×K	919.22	Calculated Property
Cp,gas	417.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048564; 0.0002281]	Pa×s	[247.09; 467.95]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18069e+01
Coefficient B			1.60100e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			247.09
Temperature range, max.			467.95
η	0.0048564	Pa×s	247.09	Calculated Property
η	0.0027046	Pa×s	271.63	Calculated Property
η	0.0016596	Pa×s	296.17	Calculated Property
η	0.0010974	Pa×s	320.71	Calculated Property
η	0.0007696	Pa×s	345.25	Calculated Property
η	0.0005657	Pa×s	369.79	Calculated Property
η	0.0004321	Pa×s	394.33	Calculated Property
η	0.0003406	Pa×s	418.87	Calculated Property
η	0.0002757	Pa×s	443.41	Calculated Property
η	0.0002281	Pa×s	467.95	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-Hexen-1-ol, chloroacetate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.