Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl octyl ester

InChI

InChI=1S/C24H36O4/c1-4-5-6-7-8-11-16-27-23(25)20-12-9-10-13-21(20)24(26)28-22-17-18(2)14-15-19(22)3/h14-15,17,20-21H,4-13,16H2,1-3H3

InChI Key

AQVIMIIPNACRHC-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1cc(C)ccc1C

Molecular Weight¹

388.54

• 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°	-206.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-780.72	kJ/mol	Joback Calculated Property
ΔfusH°	49.66	kJ/mol	Joback Calculated Property
ΔvapH°	91.05	kJ/mol	Joback Calculated Property
log10WS	-6.87		Crippen Calculated Property
logPoct/wat	5.919		Crippen Calculated Property
McVol	329.280	ml/mol	McGowan Calculated Property
Pc	1143.66	kPa	Joback Calculated Property
Inp	[2782.00; 2782.00]
Inp	2782.00		NIST
Inp	2782.00		NIST
Tboil	952.62	K	Joback Calculated Property
Tc	1172.60	K	Joback Calculated Property
Tfus	559.16	K	Joback Calculated Property
Vc	1.252	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1118.33; 1193.89]	J/mol×K	[952.62; 1172.60]
Cp,gas	1118.33	J/mol×K	952.62	Joback Calculated Property
Cp,gas	1135.10	J/mol×K	989.28	Joback Calculated Property
Cp,gas	1150.16	J/mol×K	1025.95	Joback Calculated Property
Cp,gas	1163.54	J/mol×K	1062.61	Joback Calculated Property
Cp,gas	1175.27	J/mol×K	1099.28	Joback Calculated Property
Cp,gas	1185.37	J/mol×K	1135.94	Joback Calculated Property
Cp,gas	1193.89	J/mol×K	1172.60	Joback Calculated Property
η	[0.0000431; 0.0004299]	Pa×s	[559.16; 952.62]
η	0.0004299	Pa×s	559.16	Joback Calculated Property
η	0.0002396	Pa×s	624.74	Joback Calculated Property
η	0.0001492	Pa×s	690.31	Joback Calculated Property
η	0.0001009	Pa×s	755.89	Joback Calculated Property
η	0.0000726	Pa×s	821.47	Joback Calculated Property
η	0.0000549	Pa×s	887.04	Joback Calculated Property
η	0.0000431	Pa×s	952.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl octyl ester.

Sources

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

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