Chemical Properties of Rosa-5(10),15-diene

InChI

InChI=1S/C20H32/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,15H,1,7-14H2,2-5H3/t15?,19-,20?/m1/s1

InChI Key

XLQFULDKFPTYLT-KHPNHKCMSA-N

Formula

C20H32

SMILES

C=CC1(C)CCC2(C)C3=C(CCC2C1)C(C)(C)CCC3

Molecular Weight¹

272.47

• 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.
• I : 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°	313.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-82.88	kJ/mol	Joback Calculated Property
ΔfusH°	12.80	kJ/mol	Joback Calculated Property
ΔvapH°	57.90	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen Calculated Property
logPoct/wat	6.286		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1635.13	kPa	Joback Calculated Property
Inp	[1896.00; 1917.00]
Inp	1896.00		NIST
Inp	1917.00		NIST
I	[2156.00; 2187.00]
I	2156.00		NIST
I	2187.00		NIST
Tboil	700.42	K	Joback Calculated Property
Tc	940.52	K	Joback Calculated Property
Tfus	442.88	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.41; 918.02]	J/mol×K	[700.42; 940.52]
Cp,gas	761.41	J/mol×K	700.42	Joback Calculated Property
Cp,gas	787.70	J/mol×K	740.44	Joback Calculated Property
Cp,gas	813.29	J/mol×K	780.45	Joback Calculated Property
Cp,gas	838.65	J/mol×K	820.47	Joback Calculated Property
Cp,gas	864.25	J/mol×K	860.49	Joback Calculated Property
Cp,gas	890.55	J/mol×K	900.51	Joback Calculated Property
Cp,gas	918.02	J/mol×K	940.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Rosa-5(10),15-diene.

Sources

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

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