Chemical Properties of trans-Rose oxide (CAS 876-18-6)

InChI

InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10+/m0/s1

InChI Key

CZCBTSFUTPZVKJ-VHSXEESVSA-N

Formula

C10H18O

SMILES

CC(C)=CC1CC(C)CCO1

Molecular Weight¹

154.25

CAS

876-18-6

Other Names

• (E)-Rose oxide
• Rose oxide, II
• (t)-Rose oxide
• 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, (2R,4R)-rel-
• trans-Rose oxide
• Rose oxide trans

• 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°	35.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-240.32	kJ/mol	Joback Calculated Property
ΔfusH°	21.43	kJ/mol	Joback Calculated Property
ΔvapH°	42.52	kJ/mol	Joback Calculated Property
log10WS	-2.71		Crippen Calculated Property
logPoct/wat	2.768		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[1079.00; 1149.00]
Inp	1117.00		NIST
Inp	1130.00		NIST
Inp	1140.00		NIST
Inp	1115.00		NIST
Inp	1107.00		NIST
Inp	1107.00		NIST
Inp	1115.00		NIST
Inp	1116.00		NIST
Inp	1116.00		NIST
Inp	1127.00		NIST
Inp	1115.00		NIST
Inp	1127.00		NIST
Inp	Outlier 1149.00		NIST
Inp	1127.00		NIST
Inp	1126.00		NIST
Inp	1127.00		NIST
Inp	1115.00		NIST
Inp	1115.00		NIST
Inp	1127.00		NIST
Inp	1130.00		NIST
Inp	1116.00		NIST
Inp	1127.00		NIST
Inp	1128.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1115.00		NIST
Inp	1110.00		NIST
Inp	1114.00		NIST
Inp	1117.00		NIST
Inp	1107.00		NIST
Inp	1115.00		NIST
Inp	1110.00		NIST
Inp	1127.00		NIST
Inp	Outlier 1079.00		NIST
Inp	1115.00		NIST
Inp	1126.00		NIST
Inp	1126.00		NIST
I	[1341.00; 1417.00]
I	1386.00		NIST
I	1358.00		NIST
I	1341.00		NIST
I	1362.00		NIST
I	1341.00		NIST
I	1350.00		NIST
I	Outlier 1417.00		NIST
I	1370.00		NIST
I	1367.00		NIST
I	1355.00		NIST
I	1371.00		NIST
I	1367.00		NIST
I	1341.00		NIST
I	1366.00		NIST
I	1370.00		NIST
I	1379.00		NIST
I	1341.00		NIST
I	1383.00		NIST
I	1365.00		NIST
I	1341.00		NIST
I	1365.00		NIST
I	1383.00		NIST
Tboil	474.07	K	Joback Calculated Property
Tc	683.76	K	Joback Calculated Property
Tfus	213.13	K	Joback Calculated Property
Vc	0.529	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.04; 419.25]	J/mol×K	[474.07; 683.76]
Cp,gas	318.04	J/mol×K	474.07	Joback Calculated Property
Cp,gas	337.36	J/mol×K	509.02	Joback Calculated Property
Cp,gas	355.66	J/mol×K	543.97	Joback Calculated Property
Cp,gas	372.96	J/mol×K	578.92	Joback Calculated Property
Cp,gas	389.30	J/mol×K	613.87	Joback Calculated Property
Cp,gas	404.72	J/mol×K	648.81	Joback Calculated Property
Cp,gas	419.25	J/mol×K	683.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Rose oxide.

Sources

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

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