Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl hexyl ester

InChI

InChI=1S/C21H34O4/c1-2-3-4-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-17-11-6-5-7-12-17/h5-6,17-19H,2-4,7-16H2,1H3

InChI Key

GQFLOEOTHCQOOA-UHFFFAOYSA-N

Formula

C21H34O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OCC1CC=CCC1

Molecular Weight¹

350.49

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7668		Relay (1.0) Calculated Property
ΔfG°	-270.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-931.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.68	kJ/mol	Joback Calculated Property
ΔvapH°	103.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	4.816		Crippen Calculated Property
McVol	295.610	ml/mol	McGowan Calculated Property
Pc	1342.74	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	657.79	K	Relay (1.0) Calculated Property
Tc	863.73	K	Relay (1.0) Calculated Property
Tfus	299.10	K	Relay (1.0) Calculated Property
Vc	1.064	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[999.32; 1090.56]	J/mol×K	[866.05; 1080.10]
Cp,gas	999.32	J/mol×K	866.05	Joback Calculated Property
Cp,gas	1018.67	J/mol×K	901.72	Joback Calculated Property
Cp,gas	1036.32	J/mol×K	937.40	Joback Calculated Property
Cp,gas	1052.31	J/mol×K	973.07	Joback Calculated Property
Cp,gas	1066.66	J/mol×K	1008.75	Joback Calculated Property
Cp,gas	1079.40	J/mol×K	1044.42	Joback Calculated Property
Cp,gas	1090.56	J/mol×K	1080.10	Joback Calculated Property
η	[0.0000690; 0.0010206]	Pa×s	[482.03; 866.05]
η	0.0010206	Pa×s	482.03	Joback Calculated Property
η	0.0005006	Pa×s	546.03	Joback Calculated Property
η	0.0002851	Pa×s	610.04	Joback Calculated Property
η	0.0001807	Pa×s	674.04	Joback Calculated Property
η	0.0001240	Pa×s	738.04	Joback Calculated Property
η	0.0000903	Pa×s	802.05	Joback Calculated Property
η	0.0000690	Pa×s	866.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl hexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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