Chemical Properties of Disparlure (CAS 29804-22-6)

InChI

InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m0/s1

InChI Key

HFOFYNMWYRXIBP-RBUKOAKNSA-N

Formula

C19H38O

SMILES

CCCCCCCCCCC1OC1CCCCC(C)C

Molecular Weight¹

282.50

CAS

29804-22-6

Other Names

• Oxirane, 2-decyl-3-(5-methylhexyl)-, cis-
• (.+/-cis-7,8-Epoxy-2-methyloctadecane
• 2-Decyl-3-(5-methylhexyl)oxirane, (Z)-
• cis-7,8-Epoxy-2-methyloctadecane
• Epoxan
• (Z)-7,8-Epoxy-2-methyloctadecane
• Atralymon
• (+/-)-cis-Disparlure
• Oxirane, 2-decyl-3-(5-methylhexyl)-, (2R,3S)-rel-

• 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).
• 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°	73.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-520.31	kJ/mol	Joback Calculated Property
ΔfusH°	48.63	kJ/mol	Joback Calculated Property
ΔvapH°	61.61	kJ/mol	Joback Calculated Property
log10WS	-6.74		Crippen Calculated Property
logPoct/wat	6.501		Crippen Calculated Property
McVol	273.580	ml/mol	McGowan Calculated Property
Pc	1152.22	kPa	Joback Calculated Property
Inp	[1990.00; 2032.00]
Inp	1990.00		NIST
Inp	2028.00		NIST
Inp	2032.00		NIST
Inp	2032.00		NIST
Inp	1990.00		NIST
Tboil	662.70	K	Joback Calculated Property
Tc	832.43	K	Joback Calculated Property
Tfus	329.16	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.45; 921.83]	J/mol×K	[662.70; 832.43]
Cp,gas	809.45	J/mol×K	662.70	Joback Calculated Property
Cp,gas	830.42	J/mol×K	690.99	Joback Calculated Property
Cp,gas	850.44	J/mol×K	719.28	Joback Calculated Property
Cp,gas	869.55	J/mol×K	747.57	Joback Calculated Property
Cp,gas	887.80	J/mol×K	775.86	Joback Calculated Property
Cp,gas	905.21	J/mol×K	804.15	Joback Calculated Property
Cp,gas	921.83	J/mol×K	832.43	Joback Calculated Property
η	[0.0002885; 0.0033344]	Pa×s	[329.16; 662.70]
η	0.0033344	Pa×s	329.16	Joback Calculated Property
η	0.0016515	Pa×s	384.75	Joback Calculated Property
η	0.0009768	Pa×s	440.34	Joback Calculated Property
η	0.0006499	Pa×s	495.93	Joback Calculated Property
η	0.0004694	Pa×s	551.52	Joback Calculated Property
η	0.0003599	Pa×s	607.11	Joback Calculated Property
η	0.0002885	Pa×s	662.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Disparlure.

Sources

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

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