Chemical Properties of Succinic acid, 3-chlorophenethyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H27ClO4/c1-4-6-17(14(2)3)24-19(22)10-9-18(21)23-12-11-15-7-5-8-16(20)13-15/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3

InChI Key

HBPHBNKWWSQYLG-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCC(OC(=O)CCC(=O)OCCc1cccc(Cl)c1)C(C)C

Molecular Weight¹

354.87

• 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	0.8433		Relay (1.0) Calculated Property
ΔfG°	-272.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-851.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.34	kJ/mol	Joback Calculated Property
ΔvapH°	102.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-4.98		Relay (1.0) Calculated Property
logPoct/wat	4.574		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Pc	1418.64	kPa	Joback Calculated Property
Inp	[2389.00; 2389.00]
Inp	2389.00		NIST
Inp	2389.00		NIST
Tboil	640.84	K	Relay (1.0) Calculated Property
Tc	829.95	K	Relay (1.0) Calculated Property
Tfus	270.25	K	Relay (1.0) Calculated Property
Vc	1.014	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[847.35; 920.25]	J/mol×K	[854.91; 1063.12]
Cp,gas	847.35	J/mol×K	854.91	Joback Calculated Property
Cp,gas	862.34	J/mol×K	889.61	Joback Calculated Property
Cp,gas	876.17	J/mol×K	924.31	Joback Calculated Property
Cp,gas	888.84	J/mol×K	959.02	Joback Calculated Property
Cp,gas	900.40	J/mol×K	993.72	Joback Calculated Property
Cp,gas	910.86	J/mol×K	1028.42	Joback Calculated Property
Cp,gas	920.25	J/mol×K	1063.12	Joback Calculated Property
η	[0.0000458; 0.0006863]	Pa×s	[487.07; 854.91]
η	0.0006863	Pa×s	487.07	Joback Calculated Property
η	0.0003396	Pa×s	548.38	Joback Calculated Property
η	0.0001936	Pa×s	609.68	Joback Calculated Property
η	0.0001223	Pa×s	670.99	Joback Calculated Property
η	0.0000834	Pa×s	732.30	Joback Calculated Property
η	0.0000604	Pa×s	793.60	Joback Calculated Property
η	0.0000458	Pa×s	854.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenethyl 2-methylhex-3-yl ester.

Sources

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

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