Chemical Properties of Succinic acid, tridec-2-yn-1-yl cis-4-methylcyclohexyl ester

InChI

InChI=1S/C24H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-20-27-23(25)18-19-24(26)28-22-16-14-21(2)15-17-22/h21-22H,3-11,14-20H2,1-2H3

InChI Key

NSRULGOTUPNZFY-UHFFFAOYSA-N

Formula

C24H40O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OC1CCC(C)CC1

Molecular Weight¹

392.57

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.9425		Relay (1.0) Calculated Property
ΔfG°	-97.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-861.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.52	kJ/mol	Joback Calculated Property
ΔvapH°	115.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-6.34		Relay (1.0) Calculated Property
logPoct/wat	5.966		Crippen Calculated Property
McVol	344.440	ml/mol	McGowan Calculated Property
Pc	1041.93	kPa	Joback Calculated Property
Inp	[2865.00; 2865.00]
Inp	2865.00		NIST
Inp	2865.00		NIST
Tboil	654.01	K	Relay (1.0) Calculated Property
Tc	864.64	K	Relay (1.0) Calculated Property
Tfus	287.45	K	Relay (1.0) Calculated Property
Vc	1.257	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1165.27; 1253.78]	J/mol×K	[924.98; 1135.84]
Cp,gas	1165.27	J/mol×K	924.98	Joback Calculated Property
Cp,gas	1183.93	J/mol×K	960.12	Joback Calculated Property
Cp,gas	1200.99	J/mol×K	995.27	Joback Calculated Property
Cp,gas	1216.47	J/mol×K	1030.41	Joback Calculated Property
Cp,gas	1230.41	J/mol×K	1065.55	Joback Calculated Property
Cp,gas	1242.84	J/mol×K	1100.70	Joback Calculated Property
Cp,gas	1253.78	J/mol×K	1135.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl cis-4-methylcyclohexyl ester.

Sources

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

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