Chemical Properties of cis-Chrysanthenyl propionate (CAS 70470-69-8)

InChI

InChI=1S/C13H20O2/c1-5-10(14)15-12-9-7-6-8(2)11(12)13(9,3)4/h6,9,11-12H,5,7H2,1-4H3

InChI Key

IRFLZVJYCZYXNP-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CCC(=O)OC1C2CC=C(C)C1C2(C)C

Molecular Weight¹

208.30

CAS

70470-69-8

• 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°	-66.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-396.14	kJ/mol	Joback Calculated Property
ΔfusH°	23.06	kJ/mol	Joback Calculated Property
ΔvapH°	52.87	kJ/mol	Joback Calculated Property
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	175.450	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1343.00; 1354.70]
Inp	1354.70		NIST
Inp	1343.00		NIST
Inp	1354.00		NIST
Inp	1354.70		NIST
Inp	1343.00		NIST
I	[1664.00; 1664.00]
I	1664.00		NIST
I	1664.00		NIST
Tboil	585.92	K	Joback Calculated Property
Tc	792.95	K	Joback Calculated Property
Tfus	369.49	K	Joback Calculated Property
Vc	0.675	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.87; 564.91]	J/mol×K	[585.92; 792.95]
Cp,gas	469.87	J/mol×K	585.92	Joback Calculated Property
Cp,gas	487.80	J/mol×K	620.43	Joback Calculated Property
Cp,gas	504.74	J/mol×K	654.93	Joback Calculated Property
Cp,gas	520.81	J/mol×K	689.44	Joback Calculated Property
Cp,gas	536.12	J/mol×K	723.94	Joback Calculated Property
Cp,gas	550.78	J/mol×K	758.45	Joback Calculated Property
Cp,gas	564.91	J/mol×K	792.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Chrysanthenyl propionate.

Sources

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

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