Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl pentyl ester

InChI

InChI=1S/C22H32O4/c1-4-5-10-15-25-21(23)18-12-6-7-13-19(18)22(24)26-20-14-9-8-11-17(20)16(2)3/h8-9,11,14,16,18-19H,4-7,10,12-13,15H2,1-3H3

InChI Key

ZVDRJDSQNYINOB-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

360.49

• 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°	-216.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.25	kJ/mol	Joback Calculated Property
ΔfusH°	41.34	kJ/mol	Joback Calculated Property
ΔvapH°	85.55	kJ/mol	Joback Calculated Property
log10WS	-5.85		Crippen Calculated Property
logPoct/wat	5.255		Crippen Calculated Property
McVol	301.100	ml/mol	McGowan Calculated Property
Pc	1330.04	kPa	Joback Calculated Property
Inp	[2482.00; 2482.00]
Inp	2482.00		NIST
Inp	2482.00		NIST
Tboil	901.44	K	Joback Calculated Property
Tc	1121.08	K	Joback Calculated Property
Tfus	509.10	K	Joback Calculated Property
Vc	1.133	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[997.28; 1076.93]	J/mol×K	[901.44; 1121.08]
Cp,gas	997.28	J/mol×K	901.44	Joback Calculated Property
Cp,gas	1014.56	J/mol×K	938.05	Joback Calculated Property
Cp,gas	1030.19	J/mol×K	974.65	Joback Calculated Property
Cp,gas	1044.22	J/mol×K	1011.26	Joback Calculated Property
Cp,gas	1056.66	J/mol×K	1047.87	Joback Calculated Property
Cp,gas	1067.56	J/mol×K	1084.47	Joback Calculated Property
Cp,gas	1076.93	J/mol×K	1121.08	Joback Calculated Property
η	[0.0000511; 0.0006727]	Pa×s	[509.10; 901.44]
η	0.0006727	Pa×s	509.10	Joback Calculated Property
η	0.0003428	Pa×s	574.49	Joback Calculated Property
η	0.0002005	Pa×s	639.88	Joback Calculated Property
η	0.0001295	Pa×s	705.27	Joback Calculated Property
η	0.0000901	Pa×s	770.66	Joback Calculated Property
η	0.0000664	Pa×s	836.05	Joback Calculated Property
η	0.0000511	Pa×s	901.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl pentyl ester.

Sources

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

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