Chemical Properties of Succinic acid, naphth-2-ylmethyl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C25H32O4/c1-25(2,3)21-10-12-22(13-11-21)29-24(27)15-14-23(26)28-17-18-8-9-19-6-4-5-7-20(19)16-18/h4-9,16,21-22H,10-15,17H2,1-3H3

InChI Key

PICAVKJZUHDXKX-UHFFFAOYSA-N

Formula

C25H32O4

SMILES

CC(C)(C)C1CCC(OC(=O)CCC(=O)OCc2ccc3ccccc3c2)CC1

Molecular Weight¹

396.52

• 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	0.8420		Relay (1.0) Calculated Property
ΔfG°	-79.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-706.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.24	kJ/mol	Joback Calculated Property
ΔvapH°	124.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-6.11		Relay (1.0) Calculated Property
logPoct/wat	5.811		Crippen Calculated Property
McVol	323.910	ml/mol	McGowan Calculated Property
Pc	1299.53	kPa	Joback Calculated Property
Inp	[3298.00; 3298.00]
Inp	3298.00		NIST
Inp	3298.00		NIST
Tboil	729.11	K	Relay (1.0) Calculated Property
Tc	980.22	K	Relay (1.0) Calculated Property
Tfus	394.75	K	Relay (1.0) Calculated Property
Vc	1.154	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1099.32; 1174.36]	J/mol×K	[986.27; 1223.20]
Cp,gas	1099.32	J/mol×K	986.27	Joback Calculated Property
Cp,gas	1115.14	J/mol×K	1025.76	Joback Calculated Property
Cp,gas	1129.49	J/mol×K	1065.25	Joback Calculated Property
Cp,gas	1142.48	J/mol×K	1104.74	Joback Calculated Property
Cp,gas	1154.22	J/mol×K	1144.23	Joback Calculated Property
Cp,gas	1164.81	J/mol×K	1183.72	Joback Calculated Property
Cp,gas	1174.36	J/mol×K	1223.20	Joback Calculated Property
η	[0.0000578; 0.0004976]	Pa×s	[593.03; 986.27]
η	0.0004976	Pa×s	593.03	Joback Calculated Property
η	0.0002907	Pa×s	658.57	Joback Calculated Property
η	0.0001872	Pa×s	724.11	Joback Calculated Property
η	0.0001297	Pa×s	789.65	Joback Calculated Property
η	0.0000950	Pa×s	855.19	Joback Calculated Property
η	0.0000728	Pa×s	920.73	Joback Calculated Property
η	0.0000578	Pa×s	986.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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