Chemical Properties of Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester

InChI

InChI=1S/C19H26O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-7,12-14,17H,4,8-11H2,1-3H3

InChI Key

BAJQPUFFJKFPLI-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CCCOC(=O)c1cccc(C(=O)OC2CCC(C)C(C)C2)c1

Molecular Weight¹

318.41

• 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	0.7831		Relay (1.0) Calculated Property
ΔfG°	-246.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-786.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.17	kJ/mol	Joback Calculated Property
ΔvapH°	91.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	4.235		Crippen Calculated Property
McVol	258.830	ml/mol	McGowan Calculated Property
Pc	1606.42	kPa	Joback Calculated Property
Inp	[2466.00; 2466.00]
Inp	2466.00		NIST
Inp	2466.00		NIST
Tboil	641.11	K	Relay (1.0) Calculated Property
Tc	858.04	K	Relay (1.0) Calculated Property
Tfus	297.32	K	Relay (1.0) Calculated Property
Vc	0.941	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[821.44; 905.38]	J/mol×K	[828.57; 1049.29]
Cp,gas	821.44	J/mol×K	828.57	Joback Calculated Property
Cp,gas	839.31	J/mol×K	865.36	Joback Calculated Property
Cp,gas	855.60	J/mol×K	902.14	Joback Calculated Property
Cp,gas	870.34	J/mol×K	938.93	Joback Calculated Property
Cp,gas	883.55	J/mol×K	975.72	Joback Calculated Property
Cp,gas	895.22	J/mol×K	1012.50	Joback Calculated Property
Cp,gas	905.38	J/mol×K	1049.29	Joback Calculated Property
η	[0.0001076; 0.0008622]	Pa×s	[486.05; 828.57]
η	0.0008622	Pa×s	486.05	Joback Calculated Property
η	0.0005079	Pa×s	543.14	Joback Calculated Property
η	0.0003309	Pa×s	600.22	Joback Calculated Property
η	0.0002322	Pa×s	657.31	Joback Calculated Property
η	0.0001725	Pa×s	714.40	Joback Calculated Property
η	0.0001339	Pa×s	771.48	Joback Calculated Property
η	0.0001076	Pa×s	828.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester.

Sources

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

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