Chemical Properties of Succinic acid, 3,7-dimethyloct-6-en-1-yl pentyl ester

InChI

InChI=1S/C19H34O4/c1-5-6-7-14-22-18(20)11-12-19(21)23-15-13-17(4)10-8-9-16(2)3/h9,17H,5-8,10-15H2,1-4H3

InChI Key

IEPHCLKVAUZRRE-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

CCCCCOC(=O)CCC(=O)OCCC(C)CCC=C(C)C

Molecular Weight¹

326.47

• 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).
• 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°	-289.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-822.94	kJ/mol	Joback Calculated Property
ΔfusH°	45.91	kJ/mol	Joback Calculated Property
ΔvapH°	75.85	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.816		Crippen Calculated Property
McVol	289.150	ml/mol	McGowan Calculated Property
Pc	1201.46	kPa	Joback Calculated Property
Inp	[2173.00; 2173.00]
Inp	2173.00		NIST
Inp	2173.00		NIST
Tboil	790.30	K	Joback Calculated Property
Tc	976.49	K	Joback Calculated Property
Tfus	414.17	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[884.21; 975.09]	J/mol×K	[790.30; 976.49]
Cp,gas	884.21	J/mol×K	790.30	Joback Calculated Property
Cp,gas	901.71	J/mol×K	821.33	Joback Calculated Property
Cp,gas	918.23	J/mol×K	852.36	Joback Calculated Property
Cp,gas	933.81	J/mol×K	883.40	Joback Calculated Property
Cp,gas	948.46	J/mol×K	914.43	Joback Calculated Property
Cp,gas	962.21	J/mol×K	945.46	Joback Calculated Property
Cp,gas	975.09	J/mol×K	976.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,7-dimethyloct-6-en-1-yl pentyl ester.

Sources

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

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