Chemical Properties of Benzene-hexa-n-hexanoate (CAS 65201-69-6)

InChI

InChI=1S/C42H66O12/c1-7-13-19-25-31(43)49-37-38(50-32(44)26-20-14-8-2)40(52-34(46)28-22-16-10-4)42(54-36(48)30-24-18-12-6)41(53-35(47)29-23-17-11-5)39(37)51-33(45)27-21-15-9-3/h7-30H2,1-6H3

InChI Key

GUERWKLSTJCDLZ-UHFFFAOYSA-N

Formula

C42H66O12

SMILES

CCCCCC(=O)Oc1c(OC(=O)CCCCC)c(OC(=O)CCCCC)c(OC(=O)CCCCC)c(OC(=O)CCCCC)c1OC(=O)CCCCC

Molecular Weight¹

762.97

CAS

65201-69-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1036.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-2199.83	kJ/mol	Joback Calculated Property
ΔfusH°	113.35	kJ/mol	Joback Calculated Property
ΔvapH°	169.61	kJ/mol	Joback Calculated Property
log10WS	-13.40		Crippen Calculated Property
logPoct/wat	10.601		Crippen Calculated Property
McVol	623.520	ml/mol	McGowan Calculated Property
Pc	449.25	kPa	Joback Calculated Property
S°solid,1 bar	1380.00	J/mol×K	NIST
Tboil	1669.68	K	Joback Calculated Property
Tc	2803.24	K	Joback Calculated Property
Tfus	1085.08	K	Joback Calculated Property
Ttriple	[368.74; 368.74]	K
Ttriple	368.74 ± 0.02	K	NIST
Ttriple	368.74 ± 0.01	K	NIST
Vc	2.424	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[-312.40; 2070.15]	J/mol×K	[1669.68; 2803.24]
Cp,gas	2070.15	J/mol×K	1669.68	Joback Calculated Property
Cp,gas	1876.02	J/mol×K	1858.61	Joback Calculated Property
Cp,gas	1600.35	J/mol×K	2047.53	Joback Calculated Property
Cp,gas	1243.41	J/mol×K	2236.46	Joback Calculated Property
Cp,gas	805.46	J/mol×K	2425.39	Joback Calculated Property
Cp,gas	286.77	J/mol×K	2614.32	Joback Calculated Property
Cp,gas	-312.40	J/mol×K	2803.24	Joback Calculated Property
Cp,solid	[1294.90; 1300.00]	J/mol×K	[298.15; 300.00]
Cp,solid	1294.90	J/mol×K	298.15	NIST
Cp,solid	1300.00	J/mol×K	300.00	NIST
η	[0.0000004; 0.0000027]	Pa×s	[1085.08; 1669.68]
η	0.0000027	Pa×s	1085.08	Joback Calculated Property
η	0.0000017	Pa×s	1182.51	Joback Calculated Property
η	0.0000011	Pa×s	1279.95	Joback Calculated Property
η	0.0000008	Pa×s	1377.38	Joback Calculated Property
η	0.0000006	Pa×s	1474.81	Joback Calculated Property
η	0.0000004	Pa×s	1572.25	Joback Calculated Property
η	0.0000004	Pa×s	1669.68	Joback Calculated Property
ΔfusH	33.50	kJ/mol	203.00	NIST

Similar Compounds

Find more compounds similar to Benzene-hexa-n-hexanoate.

Sources

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

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