Chemical Properties of Ethyl dl-2-hydroxycaproate (CAS 6946-90-3)

InChI

InChI=1S/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3

InChI Key

MRYSSTRVUMCKKB-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

CCCCC(O)C(=O)OCC

Molecular Weight¹

160.21

CAS

6946-90-3

Other Names

• Ethyl 2-(DL)-hydroxyhexanoate
• Ethyl 2-hydroxyhexanoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-356.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-610.76	kJ/mol	Joback Calculated Property
ΔfusH°	19.83	kJ/mol	Joback Calculated Property
ΔvapH°	58.85	kJ/mol	Joback Calculated Property
log10WS	-1.41		Crippen Calculated Property
logPoct/wat	1.101		Crippen Calculated Property
McVol	136.890	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[1041.00; 1077.00]
Inp	1062.00		NIST
Inp	1061.00		NIST
Inp	1062.00		NIST
Inp	1042.00		NIST
Inp	1077.00		NIST
Inp	1062.00		NIST
Inp	1041.00		NIST
I	[1527.00; 1592.00]
I	1544.00		NIST
I	1528.00		NIST
I	Outlier 1592.00		NIST
I	1533.00		NIST
I	1542.00		NIST
I	1527.00		NIST
I	1544.00		NIST
I	1540.00		NIST
I	1544.00		NIST
I	1531.00		NIST
I	1552.00		NIST
I	1542.00		NIST
I	1544.00		NIST
I	1533.00		NIST
Tboil	468.20	K	NIST
Tc	722.09	K	Joback Calculated Property
Tfus	297.90	K	Joback Calculated Property
Vc	0.520	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.69; 393.29]	J/mol×K	[550.47; 722.09]
Cp,gas	333.69	J/mol×K	550.47	Joback Calculated Property
Cp,gas	344.69	J/mol×K	579.07	Joback Calculated Property
Cp,gas	355.26	J/mol×K	607.68	Joback Calculated Property
Cp,gas	365.40	J/mol×K	636.28	Joback Calculated Property
Cp,gas	375.11	J/mol×K	664.88	Joback Calculated Property
Cp,gas	384.41	J/mol×K	693.49	Joback Calculated Property
Cp,gas	393.29	J/mol×K	722.09	Joback Calculated Property
η	[0.0001040; 0.0141338]	Pa×s	[297.90; 550.47]
η	0.0141338	Pa×s	297.90	Joback Calculated Property
η	0.0037547	Pa×s	340.00	Joback Calculated Property
η	0.0013358	Pa×s	382.09	Joback Calculated Property
η	0.0005834	Pa×s	424.19	Joback Calculated Property
η	0.0002959	Pa×s	466.28	Joback Calculated Property
η	0.0001680	Pa×s	508.38	Joback Calculated Property
η	0.0001040	Pa×s	550.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl dl-2-hydroxycaproate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.