Chemical Properties of 2-Hydroxy-cycloheptanecarboxylic acid ethyl ester, trans

InChI

InChI=1S/C10H18O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h8-9,11H,2-7H2,1H3/t8-,9-/m0/s1

InChI Key

ALKWBBFKXDLSML-IUCAKERBSA-N

Formula

C10H18O3

SMILES

CCOC(=O)C1CCCCCC1O

Molecular Weight¹

186.25

• 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.
• 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°	-332.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-618.94	kJ/mol	Joback Calculated Property
ΔfusH°	19.34	kJ/mol	Joback Calculated Property
ΔvapH°	63.98	kJ/mol	Joback Calculated Property
log10WS	-1.90		Crippen Calculated Property
logPoct/wat	1.491		Crippen Calculated Property
McVol	154.210	ml/mol	McGowan Calculated Property
Pc	2944.08	kPa	Joback Calculated Property
Inp	[1338.00; 1413.00]
Inp	1413.00		NIST
Inp	1338.00		NIST
Tboil	615.82	K	Joback Calculated Property
Tc	814.37	K	Joback Calculated Property
Tfus	335.06	K	Joback Calculated Property
Vc	0.562	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.77; 504.87]	J/mol×K	[615.82; 814.37]
Cp,gas	421.77	J/mol×K	615.82	Joback Calculated Property
Cp,gas	437.76	J/mol×K	648.91	Joback Calculated Property
Cp,gas	452.88	J/mol×K	682.00	Joback Calculated Property
Cp,gas	467.16	J/mol×K	715.10	Joback Calculated Property
Cp,gas	480.58	J/mol×K	748.19	Joback Calculated Property
Cp,gas	493.15	J/mol×K	781.28	Joback Calculated Property
Cp,gas	504.87	J/mol×K	814.37	Joback Calculated Property
η	[0.0000674; 0.0071736]	Pa×s	[335.06; 615.82]
η	0.0071736	Pa×s	335.06	Joback Calculated Property
η	0.0020462	Pa×s	381.85	Joback Calculated Property
η	0.0007676	Pa×s	428.65	Joback Calculated Property
η	0.0003492	Pa×s	475.44	Joback Calculated Property
η	0.0001830	Pa×s	522.23	Joback Calculated Property
η	0.0001066	Pa×s	569.03	Joback Calculated Property
η	0.0000674	Pa×s	615.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-cycloheptanecarboxylic acid ethyl ester, trans.

Sources

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

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