Chemical Properties of Succinic acid, hept-2-yl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C21H38O4/c1-6-7-8-9-16(2)24-19(22)14-15-20(23)25-18-12-10-17(11-13-18)21(3,4)5/h16-18H,6-15H2,1-5H3

InChI Key

VJIKFHOGRCJRAK-UHFFFAOYSA-N

Formula

C21H38O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)OC1CCC(C(C)(C)C)CC1

Molecular Weight¹

354.52

• 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°	-324.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-946.42	kJ/mol	Joback Calculated Property
ΔfusH°	37.69	kJ/mol	Joback Calculated Property
ΔvapH°	79.09	kJ/mol	Joback Calculated Property
log10WS	-5.97		Crippen Calculated Property
logPoct/wat	5.427		Crippen Calculated Property
McVol	310.770	ml/mol	McGowan Calculated Property
Pc	1154.57	kPa	Joback Calculated Property
Inp	[2400.00; 2400.00]
Inp	2400.00		NIST
Inp	2400.00		NIST
Tboil	843.67	K	Joback Calculated Property
Tc	1046.08	K	Joback Calculated Property
Tfus	461.31	K	Joback Calculated Property
Vc	1.175	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1032.02; 1129.48]	J/mol×K	[843.67; 1046.08]
Cp,gas	1032.02	J/mol×K	843.67	Joback Calculated Property
Cp,gas	1051.71	J/mol×K	877.41	Joback Calculated Property
Cp,gas	1069.98	J/mol×K	911.14	Joback Calculated Property
Cp,gas	1086.85	J/mol×K	944.88	Joback Calculated Property
Cp,gas	1102.36	J/mol×K	978.61	Joback Calculated Property
Cp,gas	1116.56	J/mol×K	1012.35	Joback Calculated Property
Cp,gas	1129.48	J/mol×K	1046.08	Joback Calculated Property
η	[0.0000445; 0.0010115]	Pa×s	[461.31; 843.67]
η	0.0010115	Pa×s	461.31	Joback Calculated Property
η	0.0004382	Pa×s	525.04	Joback Calculated Property
η	0.0002275	Pa×s	588.76	Joback Calculated Property
η	0.0001343	Pa×s	652.49	Joback Calculated Property
η	0.0000870	Pa×s	716.22	Joback Calculated Property
η	0.0000606	Pa×s	779.94	Joback Calculated Property
η	0.0000445	Pa×s	843.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl trans-4-tert-butylcyclohexyl ester.

Sources

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

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