Chemical Properties of (2R,7S)-diacetoxytridecane

InChI

InChI=1S/C14H26O4/c1-5-6-7-8-9-10-14(18-13(4)16)11(2)17-12(3)15/h11,14H,5-10H2,1-4H3/t11-,14+/m1/s1

InChI Key

KPGJNKDINXICAO-SMDDNHRTSA-N

Formula

C14H26O4

SMILES

CCCCCCC[C@H](OC(C)=O)[C@@H](C)OC(C)=O

Molecular Weight¹

258.36

• 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	0.7172		Relay (1.0) Calculated Property
ΔfG°	-558.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-975.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.71	kJ/mol	Joback Calculated Property
ΔvapH°	83.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-3.42		Relay (1.0) Calculated Property
logPoct/wat	3.230		Crippen Calculated Property
McVol	223.000	ml/mol	McGowan Calculated Property
Pc	1554.90	kPa	Joback Calculated Property
Inp	[1889.00; 1889.00]
Inp	1889.00		NIST
Inp	1889.00		NIST
Tboil	542.27	K	Relay (1.0) Calculated Property
Tc	710.67	K	Relay (1.0) Calculated Property
Tfus	269.63	K	Relay (1.0) Calculated Property
Vc	0.864	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.31; 696.71]	J/mol×K	[635.48; 811.53]
Cp,gas	609.31	J/mol×K	635.48	Joback Calculated Property
Cp,gas	625.90	J/mol×K	664.82	Joback Calculated Property
Cp,gas	641.67	J/mol×K	694.16	Joback Calculated Property
Cp,gas	656.63	J/mol×K	723.51	Joback Calculated Property
Cp,gas	670.79	J/mol×K	752.85	Joback Calculated Property
Cp,gas	684.14	J/mol×K	782.19	Joback Calculated Property
Cp,gas	696.71	J/mol×K	811.53	Joback Calculated Property
η	[0.0000855; 0.0063664]	Pa×s	[302.20; 635.48]
η	0.0063664	Pa×s	302.20	Joback Calculated Property
η	0.0017769	Pa×s	357.75	Joback Calculated Property
η	0.0006989	Pa×s	413.29	Joback Calculated Property
η	0.0003429	Pa×s	468.84	Joback Calculated Property
η	0.0001957	Pa×s	524.39	Joback Calculated Property
η	0.0001243	Pa×s	579.93	Joback Calculated Property
η	0.0000855	Pa×s	635.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2R,7S)-diacetoxytridecane.

Sources

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

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